2-cyclopentylidene-2-(2-methylphenyl)acetonitrile

C14H15N — CID 67453590

IUPAC2-cyclopentylidene-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)=C1CCCC1
InChIInChI=1S/C14H15N/c1-11-6-2-5-9-13(11)14(10-15)12-7-3-4-8-12/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyPTFNTWSNLBOLLA-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.85
Rot. Bonds1

About 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile

2-cyclopentylidene-2-(2-methylphenyl)acetonitrile (PubChem CID 67453590) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopentylidene-2-(2-methylphenyl)acetonitrile
PubChem CID67453590
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-cyclopentylidene-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1C(C#N)=C1CCCC1
InChIInChI=1S/C14H15N/c1-11-6-2-5-9-13(11)14(10-15)12-7-3-4-8-12/h2,5-6,9H,3-4,7-8H2,1H3
InChIKeyPTFNTWSNLBOLLA-UHFFFAOYSA-N
XLogP3.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile?
The IUPAC name of 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile (CID 67453590) is 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile is Cc1ccccc1C(C#N)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile?
The InChIKey is PTFNTWSNLBOLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-11-6-2-5-9-13(11)14(10-15)12-7-3-4-8-12/h2,5-6,9H,3-4,7-8H2,1H3.
What are the key properties of 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile?
2-cyclopentylidene-2-(2-methylphenyl)acetonitrile has a molecular weight of 197.28 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 67453590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).