2-cyclohexylidene-2-(2-methylphenyl)acetonitrile

C15H17N — CID 67367311

IUPAC2-cyclohexylidene-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)=C1CCCCC1
InChIInChI=1S/C15H17N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10H,2-4,8-9H2,1H3
InChIKeyBDIZOKISHHUZPI-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.24
Rot. Bonds1

About 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile

2-cyclohexylidene-2-(2-methylphenyl)acetonitrile (PubChem CID 67367311) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclohexylidene-2-(2-methylphenyl)acetonitrile
PubChem CID67367311
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name2-cyclohexylidene-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)=C1CCCCC1
InChIInChI=1S/C15H17N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10H,2-4,8-9H2,1H3
InChIKeyBDIZOKISHHUZPI-UHFFFAOYSA-N
XLogP4.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

Benzonitrile
CID 7505
Phenylacetonitrile
CID 8794
Phthalonitrile
CID 7042
Benzenepropanenitrile
CID 12581
Diphenylacetonitrile
CID 6837
p-Tolunitrile
CID 7724
2-Methylbenzonitrile
CID 10721
4-Isopropylbenzonitrile
CID 26289
1-Naphthalenecarbonitrile
CID 6846
3,4-Dimethylbenzonitrile
CID 89884
(1,1'-Biphenyl)-4-carbonitrile, 4'-hexyl-
CID 38764
Benzenebutanenitrile
CID 74897

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile (CID 67367311) is 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile?
The InChIKey is BDIZOKISHHUZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12-7-5-6-10-14(12)15(11-16)13-8-3-2-4-9-13/h5-7,10H,2-4,8-9H2,1H3.
What are the key properties of 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile?
2-cyclohexylidene-2-(2-methylphenyl)acetonitrile has a molecular weight of 211.31 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 67367311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).