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

C15H16N2O2 — CID 107467988

IUPACN-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CC2CC2C1
InChIInChI=1S/C15H16N2O2/c1-19-13-4-2-3-9(8-16)14(13)17-15(18)12-6-10-5-11(10)7-12/h2-4,10-12H,5-7H2,1H3,(H,17,18)
InChIKeyDHZSHJUKYFLKQD-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.55
Rot. Bonds3

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

N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 107467988) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID107467988
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC NameN-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCOc1cccc(C#N)c1NC(=O)C1CC2CC2C1
InChIInChI=1S/C15H16N2O2/c1-19-13-4-2-3-9(8-16)14(13)17-15(18)12-6-10-5-11(10)7-12/h2-4,10-12H,5-7H2,1H3,(H,17,18)
InChIKeyDHZSHJUKYFLKQD-UHFFFAOYSA-N
XLogP2.55
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
2-amino-N-(2-cyano-6-methoxyphenyl)cyclopentane-1-carboxamide
CID 107467835
2-amino-N-(2-cyano-6-methoxyphenyl)cycloheptane-1-carboxamide
CID 107467741
N-(2-cyano-6-methoxyphenyl)azepane-1-carboxamide
CID 107467260
N-(2-cyano-6-methoxyphenyl)-2,2,2-trifluoroacetamide
CID 107468131
1-(2-chlorophenyl)-3-(2-cyano-6-methoxyphenyl)urea
CID 107468189
1-cyano-N-(2-cyano-6-methoxyphenyl)cyclobutane-1-carboxamide
CID 107468358
1-[(2-cyano-6-methoxyphenyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 107468863
N-(2-cyano-6-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 107468068
N-(2-cyano-6-methoxyphenyl)-2-methyl-2-methylsulfonylpropanamide
CID 107468020
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
CID 107468277

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 107467988) is N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide is COc1cccc(C#N)c1NC(=O)C1CC2CC2C1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DHZSHJUKYFLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-13-4-2-3-9(8-16)14(13)17-15(18)12-6-10-5-11(10)7-12/h2-4,10-12H,5-7H2,1H3,(H,17,18).
What are the key properties of N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 256.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 107467988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).