1.0
2010-04-08 22:14:58 UTC
2019-11-26 03:18:50 UTC
FDB020364
1-Methyl-2-pyrrolecarboxaldehyde
Maillard product
1-Methyl-1H-pyrrole-2-carbaldehyde
1-Methyl-1H-pyrrole-2-carboxaldehyde
1-Methyl-2-formylpyrrole
1-Methyl-2-pyrrolaldehyde
1-Methyl-2-pyrrolecarboxaldehyde
1-Methyl-pyrrole-2-carboxaldehyde
1-methylformylpyrrole
1-Methylpyrrole-2-carbaldehyde
1-Methylpyrrole-2-carboxaldehyde
1-methylpyrrole-2-carboxyaldehyde
1H-Pyrrole-2-carboxaldehyde, 1-methyl-
2-Formyl-1-methylpyrrole
N-Methyl-2-formylpyrrole
N-Methyl-2-pyrrolecarboxaldehyde
N-Methylpyrrole-2-aldehyde
N-Methylpyrrole-2-carboxaldehyde
N-methylpyrrole-2-carboxy aldehyde
Pyrrole-2-carboxaldehyde, 1-methyl-
C6H7NO
109.1259
109.052763851
1-methyl-1H-pyrrole-2-carbaldehyde
1-methylpyrrole-2-carbaldehyde
1192-58-1
CN1C=CC=C1C=O
InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
OUKQTRFCDKSEPL-UHFFFAOYSA-N
belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring.
Aryl-aldehydes
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbonyl compounds
Aromatic heteromonocyclic compounds
Azacyclic compounds
Heteroaromatic compounds
Hydrocarbon derivatives
N-methylpyrroles
Organic oxides
Organonitrogen compounds
Organopnictogen compounds
Aromatic heteromonocyclic compound
Aryl-aldehyde
Azacycle
Heteroaromatic compound
Hydrocarbon derivative
N-methylpyrrole
Organic nitrogen compound
Organic oxide
Organoheterocyclic compound
Organonitrogen compound
Organopnictogen compound
Pyrrole
Substituted pyrrole
logp
0.44
logs
-1.79
solubility
1.77e+00 g/l
logp
0.91
pka_strongest_basic
-7.5
iupac
1-methyl-1H-pyrrole-2-carbaldehyde
average_mass
109.1259
mono_mass
109.052763851
smiles
CN1C=CC=C1C=O
formula
C6H7NO
inchi
InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
inchikey
OUKQTRFCDKSEPL-UHFFFAOYSA-N
polar_surface_area
22
refractivity
32.18
polarizability
11.29
rotatable_bond_count
1
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
9020
Specdb::MsIr
9021
Specdb::CMs
17118
Specdb::CMs
162163
Specdb::NmrOneD
42102
Specdb::NmrOneD
42103
Specdb::NmrOneD
42104
Specdb::NmrOneD
42105
Specdb::NmrOneD
42106
Specdb::NmrOneD
42107
Specdb::NmrOneD
42108
Specdb::NmrOneD
42109
Specdb::NmrOneD
42110
Specdb::NmrOneD
42111
Specdb::NmrOneD
42112
Specdb::NmrOneD
42113
Specdb::NmrOneD
42114
Specdb::NmrOneD
42115
Specdb::NmrOneD
42116
Specdb::NmrOneD
42117
Specdb::NmrOneD
42118
Specdb::NmrOneD
42119
Specdb::NmrOneD
42120
Specdb::NmrOneD
42121
Specdb::MsMs
64713
Specdb::MsMs
64714
Specdb::MsMs
64715
Specdb::MsMs
121947
Specdb::MsMs
121948
Specdb::MsMs
121949
Specdb::MsMs
2727682
Specdb::MsMs
2727683
Specdb::MsMs
2727684
Specdb::MsMs
2978618
Specdb::MsMs
2978619
Specdb::MsMs
2978620
HMDB40582
#<Reference:0x0000555674cba578>
Asparagus
Type 1
specific
Asparagus officinalis
4686