1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide

C13H14N2O — CID 78994720

IUPAC1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H14N2O/c1-10-5-2-3-6-11(10)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChIKeyFEFJLAAIBWOGCA-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.63
Rot. Bonds2

About 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide

1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 78994720) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
PubChem CID78994720
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccccc1NC(=O)C1(C#N)CCC1
InChIInChI=1S/C13H14N2O/c1-10-5-2-3-6-11(10)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)
InChIKeyFEFJLAAIBWOGCA-UHFFFAOYSA-N
XLogP2.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-3-methyl-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 80501128
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 78995050
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
CID 103604334
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
N-(2-chloro-6-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 66257240
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide (CID 78994720) is 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide is Cc1ccccc1NC(=O)C1(C#N)CCC1.
What is the InChIKey of 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is FEFJLAAIBWOGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-5-2-3-6-11(10)15-12(16)13(9-14)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide?
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.63, 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-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).