1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile

C15H17N — CID 117047551

IUPAC1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccc2C2CCCC2)CC1
InChIInChI=1S/C15H17N/c16-11-15(9-10-15)14-8-4-3-7-13(14)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2
InChIKeyMTLRJTMZOSHTAC-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.90
Rot. Bonds2

About 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile

1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile (PubChem CID 117047551) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile
PubChem CID117047551
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccccc2C2CCCC2)CC1
InChIInChI=1S/C15H17N/c16-11-15(9-10-15)14-8-4-3-7-13(14)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2
InChIKeyMTLRJTMZOSHTAC-UHFFFAOYSA-N
XLogP3.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2-cyclohexylphenyl)cyclobutane-1-carboxylic acid
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[1-(2-cyclohexylphenyl)cyclobutyl]methanamine
CID 117360932
1-(2-cyclohexylphenyl)cyclopropane-1-carboxylic acid
CID 117362895
1-[1-(2-cycloheptylphenyl)cyclopropyl]ethanamine
CID 117397248
1-[1-(2-cyclohexylphenyl)cyclopropyl]ethanamine
CID 117360924
2-(1-cyanocyclopentyl)benzonitrile
CID 117047164
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
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4-(2-cyclobutylphenyl)-4-fluoropiperidine
CID 114607386

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile (CID 117047551) is 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile is N#CC1(c2ccccc2C2CCCC2)CC1.
What is the InChIKey of 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is MTLRJTMZOSHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c16-11-15(9-10-15)14-8-4-3-7-13(14)12-5-1-2-6-12/h3-4,7-8,12H,1-2,5-6,9-10H2.
What are the key properties of 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile?
1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 211.31 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 117047551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).