1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile

C15H17N — CID 117047053

IUPAC1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2ccc(C3CC3)cc2)CCCC1
InChIInChI=1S/C15H17N/c16-11-15(9-1-2-10-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12H,1-4,9-10H2
InChIKeyISLAPONKRGTLPN-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile

1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile (PubChem CID 117047053) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
PubChem CID117047053
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile
SMILESN#CC1(c2ccc(C3CC3)cc2)CCCC1
InChIInChI=1S/C15H17N/c16-11-15(9-1-2-10-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12H,1-4,9-10H2
InChIKeyISLAPONKRGTLPN-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

1-[4-(1-methylpiperidin-3-yl)phenyl]cyclobutane-1-carbonitrile
CID 116988230
[4-(1-cyanocyclopentyl)phenyl]boronic acid
CID 75485914
1-[4-(bromomethyl)phenyl]cyclopentane-1-carbonitrile
CID 54110303
3-(4-piperidin-4-ylphenyl)oxetane-3-carbonitrile
CID 116988102
1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 22314789
3-(4-pyrrolidin-3-ylphenyl)oxetane-3-carbonitrile
CID 116988496
1-[4-(trifluoromethylamino)phenyl]cyclopentane-1-carbonitrile
CID 176550166
1-(3,4-difluorophenyl)cyclohexane-1-carbonitrile
CID 66685213
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052
4-methyl-1-pyridin-4-ylcyclohexane-1-carbonitrile
CID 80524226
1-(6-bromo-3-pyridinyl)cyclopentane-1-carbonitrile
CID 23134458
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397303

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile (CID 117047053) is 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile is N#CC1(c2ccc(C3CC3)cc2)CCCC1.
What is the InChIKey of 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile?
The InChIKey is ISLAPONKRGTLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c16-11-15(9-1-2-10-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12H,1-4,9-10H2.
What are the key properties of 1-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile?
1-(4-cyclopropylphenyl)cyclopentane-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-(4-cyclopropylphenyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 117047053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).