COC(=O)C=C1CC(=CC=C1)N
Name: methyl 2-(5-aminocyclohexa-2,4-dien-1-ylidene)acetate
SMILES: COC(=O)C=C1CC(=CC=C1)N

Molecular Processing

Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
0.89
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
46.13

Supplementary Information

InChIKey: WRHAEFHGMCETEX-UHFFFAOYSA-N
Synonyme
SCHEMBL655242WRHAEFHGMCETEX-UHFFFAOYSA-N3-(methoxycarbonylmethylene)aniline
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