1-(3-methylbenzoyl)cyclopentane-1-carbonitrile

C14H15NO — CID 102358495

IUPAC1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
SMILESCc1cccc(C(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C14H15NO/c1-11-5-4-6-12(9-11)13(16)14(10-15)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyXFILFSYDQTVMFE-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.26
Rot. Bonds2

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

1-(3-methylbenzoyl)cyclopentane-1-carbonitrile (PubChem CID 102358495) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
PubChem CID102358495
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
SMILESCc1cccc(C(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C14H15NO/c1-11-5-4-6-12(9-11)13(16)14(10-15)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3
InChIKeyXFILFSYDQTVMFE-UHFFFAOYSA-N
XLogP3.26
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921578
1-[hydroxy-(3-methylphenyl)methyl]cyclopentane-1-carbonitrile
CID 79136710
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
(3-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114962620
(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79058233
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
1-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 134031079
1-(2-methyl-3H-benzimidazole-5-carbonyl)cyclopropane-1-carbonitrile
CID 116920882

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile (CID 102358495) is 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile is Cc1cccc(C(=O)C2(C#N)CCCC2)c1.
What is the InChIKey of 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile?
The InChIKey is XFILFSYDQTVMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-5-4-6-12(9-11)13(16)14(10-15)7-2-3-8-14/h4-6,9H,2-3,7-8H2,1H3.
What are the key properties of 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile?
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 102358495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).