1-(3-methoxyphenyl)cyclopentane-1-carbonitrile

C13H15NO — CID 15030110

IUPAC1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCCC2)c1
InChIInChI=1S/C13H15NO/c1-15-12-6-4-5-11(9-12)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
InChIKeyDGVUUGLMQGECES-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile

1-(3-methoxyphenyl)cyclopentane-1-carbonitrile (PubChem CID 15030110) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
PubChem CID15030110
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-(3-methoxyphenyl)cyclopentane-1-carbonitrile
SMILESCOc1cccc(C2(C#N)CCCC2)c1
InChIInChI=1S/C13H15NO/c1-15-12-6-4-5-11(9-12)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
InChIKeyDGVUUGLMQGECES-UHFFFAOYSA-N
XLogP3.03
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
1-[4-(3-methoxyphenyl)phenyl]cyclopropane-1-carbonitrile
CID 169408841
1-benzyl-4-(3-methoxyphenyl)piperidine-4-carbonitrile;hydrochloride
CID 67562153
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
1-(3-methoxyphenyl)-4-morpholin-4-ylcyclohexane-1-carbonitrile
CID 23133668
1-(3-methoxyphenyl)-4-(piperidin-4-ylamino)cyclohexane-1-carbonitrile;dihydrochloride
CID 23133669
1-(3-methoxyphenyl)-4-(2-phenylethylamino)cyclohexane-1-carbonitrile
CID 23133712
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(3-methoxyphenyl)-4-[(4-phenylphenyl)methylamino]cyclohexane-1-carbonitrile
CID 23133727
4-[[4-cyano-4-(3-methoxyphenyl)cyclohexyl]amino]benzenesulfonamide
CID 23133806
4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile
CID 23133797
1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
CID 43119035

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile (CID 15030110) is 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile is COc1cccc(C2(C#N)CCCC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile?
The InChIKey is DGVUUGLMQGECES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-15-12-6-4-5-11(9-12)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile?
1-(3-methoxyphenyl)cyclopentane-1-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 15030110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).