CC1(CCCCCC1=O)CC#N
Name: 2-(1-methyl-2-oxocycloheptyl)acetonitrile
SMILES: CC1(CCCCCC1=O)CC#N

Molecular Processing

Molecular formula
C10H15NO
Molecular weight
165.24
Exact mass
165.1154
XLogP
2.44
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
46.43

Supplementary Information

InChIKey: HDEDAGREICRNQD-UHFFFAOYSA-N
Synonyme
SCHEMBL11639266HDEDAGREICRNQD-UHFFFAOYSA-N2-cyanomethyl-2-methylcycloheptanone1-methyl-2-oxocycloheptaneacetonitrile
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