1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide

C15H18N2O — CID 51246024

IUPAC1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-6-12(2)13(9-11)17-14(18)15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyLRBOUMLJRAVOIO-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.33
Rot. Bonds2

About 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide

1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide (PubChem CID 51246024) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
PubChem CID51246024
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C15H18N2O/c1-11-5-6-12(2)13(9-11)17-14(18)15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyLRBOUMLJRAVOIO-UHFFFAOYSA-N
XLogP3.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 29240891
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
CID 47162656
1-cyano-N-(4-methyl-2-nitrophenyl)cyclopropane-1-carboxamide
CID 107857068
N-(2-chloro-5-methylphenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 103771809
1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 78995050
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-(4-methyl-3-nitrophenyl)cyclohexane-1-carboxamide
CID 60584340

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide (CID 51246024) is 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide is Cc1ccc(C)c(NC(=O)C2(C#N)CCCC2)c1.
What is the InChIKey of 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide?
The InChIKey is LRBOUMLJRAVOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-6-12(2)13(9-11)17-14(18)15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide?
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 51246024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).