C1CCC(CC1)C(=O)CC#N
CAS: 62455-70-3
Name: 3-cyclohexyl-3-oxopropanenitrile
SMILES: C1CCC(CC1)C(=O)CC#N

Molecular Processing

Molecular formula
C9H13NO
Molecular weight
151.21
Exact mass
151.0997
XLogP
2.05
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
41.81

Supplementary Information

InChIKey: SFILZUIMJFKTHM-UHFFFAOYSA-N
Synonyms
3-Cyclohexyl-3-oxopropanenitrile62455-70-3DTXSID40461853RefChem:278788DTXCID30412672817-032-33-CYCLOHEXYL-3-OXO-PROPIONITRILEbeta-Oxo-cyclohexanepropanenitrileMFCD077001283-cyclohexyl-3-oxo-propanenitrileb-oxo-Cyclohexanepropanenitrile(Cyclohexylcarbonyl)acetonitrile(Cyclohexylcarbonyl)acetonitrile; 3-Cyclohexyl-3-oxopropanenitrile; 3-Cyclohexyl-3-oxopropionitrile;cyanomethyl cyclohexyl ketoneSCHEMBL48420553-cyclohexyl-3-oxopropionitrileMCA45570AKOS009236567SB37982AS-42291DB-073120CS-0222656EN300-112102F229401Z360167446
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Involved in 21 reactions→

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