1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide

C12H12N2O — CID 80599319

IUPAC1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C#N)CC2)c1
InChIInChI=1S/C12H12N2O/c1-9-3-2-4-10(7-9)14-11(15)12(8-13)5-6-12/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyLEXHLLNVXZNHNB-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.24
Rot. Bonds2

About 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide

1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 80599319) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID80599319
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C#N)CC2)c1
InChIInChI=1S/C12H12N2O/c1-9-3-2-4-10(7-9)14-11(15)12(8-13)5-6-12/h2-4,7H,5-6H2,1H3,(H,14,15)
InChIKeyLEXHLLNVXZNHNB-UHFFFAOYSA-N
XLogP2.24
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(3-ethylphenyl)cyclohexane-1-carboxamide
CID 61458989
3-[(1-cyanocyclopentanecarbonyl)amino]benzamide
CID 51246637
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-cyano-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80599079
1-cyano-N-(3-nitrophenyl)cyclopentane-1-carboxamide
CID 55021433
ethyl 3-[(1-cyanocyclohexanecarbonyl)amino]benzoate
CID 60584377
1-cyano-N-[3-(ethylcarbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 122134935
4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane
CID 143919440
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
N-(3-bromo-5-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 107583609
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80598456

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide (CID 80599319) is 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2(C#N)CC2)c1.
What is the InChIKey of 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LEXHLLNVXZNHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-3-2-4-10(7-9)14-11(15)12(8-13)5-6-12/h2-4,7H,5-6H2,1H3,(H,14,15).
What are the key properties of 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide?
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80599319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).