N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H18N2O — CID 79673742

IUPACN-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CC1(NC(=O)C2C3CCCC32)CCCC1
InChIInChI=1S/C13H18N2O/c14-8-13(6-1-2-7-13)15-12(16)11-9-4-3-5-10(9)11/h9-11H,1-7H2,(H,15,16)
InChIKeyLYKDQBWIOPZBCE-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.99
Rot. Bonds2

About N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79673742) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79673742
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CC1(NC(=O)C2C3CCCC32)CCCC1
InChIInChI=1S/C13H18N2O/c14-8-13(6-1-2-7-13)15-12(16)11-9-4-3-5-10(9)11/h9-11H,1-7H2,(H,15,16)
InChIKeyLYKDQBWIOPZBCE-UHFFFAOYSA-N
XLogP1.99
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673741
(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 99775068
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
CID 78831224
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
1-(1-cyanocyclohexyl)-3-cyclopropylurea
CID 55209173
1-(1-cyanocyclooctyl)-3-cyclopropylurea
CID 62698920
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
N-(1-cyanocyclooctyl)-1,4-dioxane-2-carboxamide
CID 55023761
N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclopentyl)-2,2-dimethylpropanamide
CID 60704873

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79673742) is N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide is N#CC1(NC(=O)C2C3CCCC32)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LYKDQBWIOPZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-8-13(6-1-2-7-13)15-12(16)11-9-4-3-5-10(9)11/h9-11H,1-7H2,(H,15,16).
What are the key properties of N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79673742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).