N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

C15H16N2O — CID 114003196

IUPACN-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cccc(NC(=O)C2C3CCCC32)c1C#N
InChIInChI=1S/C15H16N2O/c1-9-4-2-7-13(12(9)8-16)17-15(18)14-10-5-3-6-11(10)14/h2,4,7,10-11,14H,3,5-6H2,1H3,(H,17,18)
InChIKeyPJTRNKOKLWIQLQ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.85
Rot. Bonds2

About N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 114003196) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID114003196
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1cccc(NC(=O)C2C3CCCC32)c1C#N
InChIInChI=1S/C15H16N2O/c1-9-4-2-7-13(12(9)8-16)17-15(18)14-10-5-3-6-11(10)14/h2,4,7,10-11,14H,3,5-6H2,1H3,(H,17,18)
InChIKeyPJTRNKOKLWIQLQ-UHFFFAOYSA-N
XLogP2.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
N-(2-cyano-3-methylphenyl)-2-(cyclopropylamino)acetamide
CID 107805022
N-(2-cyano-3-methylphenyl)-5-methyloxolane-3-carboxamide
CID 102676289
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107805027
2-(2-cyano-3-methylanilino)-2-oxoacetic acid
CID 12715815
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107800886
N-(2-cyano-3-methylphenyl)-2-(methylamino)acetamide
CID 107804985
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 114003196) is N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is Cc1cccc(NC(=O)C2C3CCCC32)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is PJTRNKOKLWIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-4-2-7-13(12(9)8-16)17-15(18)14-10-5-3-6-11(10)14/h2,4,7,10-11,14H,3,5-6H2,1H3,(H,17,18).
What are the key properties of N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 114003196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).