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

C16H24N2O — CID 79673741

IUPACN-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CC1(NC(=O)C2C3CCCC32)CCCCCCC1
InChIInChI=1S/C16H24N2O/c17-11-16(9-4-2-1-3-5-10-16)18-15(19)14-12-7-6-8-13(12)14/h12-14H,1-10H2,(H,18,19)
InChIKeySTCLWZMFUQGOIG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds2

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

N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79673741) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79673741
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESN#CC1(NC(=O)C2C3CCCC32)CCCCCCC1
InChIInChI=1S/C16H24N2O/c17-11-16(9-4-2-1-3-5-10-16)18-15(19)14-12-7-6-8-13(12)14/h12-14H,1-10H2,(H,18,19)
InChIKeySTCLWZMFUQGOIG-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79673742
N-(1-cyanocyclooctyl)cyclohexanecarboxamide
CID 54904581
(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 99775068
N-(1-cyanocyclohexyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918975
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888
2,2-dichloro-N-(1-cyanocyclopentyl)cyclopropane-1-carboxamide
CID 78831224
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-cyanocycloheptyl)-2,2-difluoroacetamide
CID 103513731
2-bromo-N-(1-cyanocycloheptyl)acetamide
CID 63680243

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79673741) is N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide is N#CC1(NC(=O)C2C3CCCC32)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is STCLWZMFUQGOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-11-16(9-4-2-1-3-5-10-16)18-15(19)14-12-7-6-8-13(12)14/h12-14H,1-10H2,(H,18,19).
What are the key properties of N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79673741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).