1-cyano-N-cyclooctylcyclopentane-1-carboxamide

C15H24N2O — CID 29240923

IUPAC1-cyano-N-cyclooctylcyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCCCCCC2)CCCC1
InChIInChI=1S/C15H24N2O/c16-12-15(10-6-7-11-15)14(18)17-13-8-4-2-1-3-5-9-13/h13H,1-11H2,(H,17,18)
InChIKeyITZWQAHNIOBCNF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.30
Rot. Bonds2

About 1-cyano-N-cyclooctylcyclopentane-1-carboxamide

1-cyano-N-cyclooctylcyclopentane-1-carboxamide (PubChem CID 29240923) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyano-N-cyclooctylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-cyclooctylcyclopentane-1-carboxamide
PubChem CID29240923
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-cyano-N-cyclooctylcyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCCCCCC2)CCCC1
InChIInChI=1S/C15H24N2O/c16-12-15(10-6-7-11-15)14(18)17-13-8-4-2-1-3-5-9-13/h13H,1-11H2,(H,17,18)
InChIKeyITZWQAHNIOBCNF-UHFFFAOYSA-N
XLogP3.30
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(1-oxothian-4-yl)cyclohexane-1-carboxamide
CID 115886715
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 64749228
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61476262
1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
CID 64749617
1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113346655
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
1-cyano-N-(2-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 80592030
1-cyano-N-(2,2-dimethylcyclopropyl)cyclopentane-1-carboxamide
CID 55031136
1-(1-cyanocyclooctyl)-3-cyclohexylurea
CID 61124742
1-cyano-N-(2-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114121545

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-cyclooctylcyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-cyclooctylcyclopentane-1-carboxamide (CID 29240923) is 1-cyano-N-cyclooctylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-cyclooctylcyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-cyclooctylcyclopentane-1-carboxamide is N#CC1(C(=O)NC2CCCCCCC2)CCCC1.
What is the InChIKey of 1-cyano-N-cyclooctylcyclopentane-1-carboxamide?
The InChIKey is ITZWQAHNIOBCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c16-12-15(10-6-7-11-15)14(18)17-13-8-4-2-1-3-5-9-13/h13H,1-11H2,(H,17,18).
What are the key properties of 1-cyano-N-cyclooctylcyclopentane-1-carboxamide?
1-cyano-N-cyclooctylcyclopentane-1-carboxamide has a molecular weight of 248.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-cyclooctylcyclopentane-1-carboxamide is sourced from PubChem (CID 29240923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).