2-[1-(4-methylphenyl)cyclopentyl]acetonitrile

C14H17N — CID 90274586

IUPAC2-[1-(4-methylphenyl)cyclopentyl]acetonitrile
SMILESCc1ccc(C2(CC#N)CCCC2)cc1
InChIInChI=1S/C14H17N/c1-12-4-6-13(7-5-12)14(10-11-15)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChIKeyZHMORWRPIUFSKI-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.72
Rot. Bonds2

About 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile

2-[1-(4-methylphenyl)cyclopentyl]acetonitrile (PubChem CID 90274586) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)cyclopentyl]acetonitrile
PubChem CID90274586
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-[1-(4-methylphenyl)cyclopentyl]acetonitrile
SMILESCc1ccc(C2(CC#N)CCCC2)cc1
InChIInChI=1S/C14H17N/c1-12-4-6-13(7-5-12)14(10-11-15)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3
InChIKeyZHMORWRPIUFSKI-UHFFFAOYSA-N
XLogP3.72
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile?
The IUPAC name of 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile (CID 90274586) is 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile.
What is the SMILES notation for 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile?
The canonical SMILES for 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile is Cc1ccc(C2(CC#N)CCCC2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile?
The InChIKey is ZHMORWRPIUFSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-12-4-6-13(7-5-12)14(10-11-15)8-2-3-9-14/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile?
2-[1-(4-methylphenyl)cyclopentyl]acetonitrile has a molecular weight of 199.30 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)cyclopentyl]acetonitrile is sourced from PubChem (CID 90274586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).