1-methyl-4-oxocyclohexane-1-carbonitrile

1-methyl-4-oxocyclohexane-1-carbonitrile

CAS: 121955-82-6

Formula: C8H11NO

SMILES: CC1(CCC(=O)CC1)C#N

IUPAC: 1-methyl-4-oxocyclohexane-1-carbonitrile

InChI: InChI=1S/C8H11NO/c1-8(6-9)4-2-7(10)3-5-8/h2-5H2,1H3

Composition: C (70.04%), H (8.08%), N (10.21%), O (11.66%)

Molar Mass: 137.182

Atom Count: 21

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	137.084063978
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DDSBNJVJUCCGNO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.97
Topological Polar Surface Area	40.86
Polarizability	14.66
Ring Count	1
Rotatable Bond Count	0

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