CC1(CCC(=O)NC2=C1C=C(C=C2)N)C
CAS: 1022965-12-3
Name: 7-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
SMILES: CC1(CCC(=O)NC2=C1C=C(C=C2)N)C

Molecular Processing

Molecular formula
C12H16N2O
Molecular weight
204.27
Exact mass
204.1263
XLogP
2.28
TPSA
55.12
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.74

Supplementary Information

InChIKey: ACGRKCDTRDHBJR-UHFFFAOYSA-N
Synonyme
7-Amino-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one1022965-12-3SCHEMBL519424ACGRKCDTRDHBJR-UHFFFAOYSA-N7-amino-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one7-amino-5,5-dimethyl-1,3,4,5-tetrahydro-bezo[b]azepin-2-one
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