(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide

C16H25NO — CID 814819

IUPAC(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(NC1CCCCC1)C1[C@@H]2CCC=CCC[C@@H]12
InChIInChI=1S/C16H25NO/c18-16(17-12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-14(13)15/h1-2,12-15H,3-11H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyBIVJHCBCRYAKLA-ZIAGYGMSSA-N
MW247.38 g/mol
LogP3.43
Rot. Bonds2

About (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide

(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 814819) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID814819
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESO=C(NC1CCCCC1)C1[C@@H]2CCC=CCC[C@@H]12
InChIInChI=1S/C16H25NO/c18-16(17-12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-14(13)15/h1-2,12-15H,3-11H2,(H,17,18)/t13-,14-/m1/s1
InChIKeyBIVJHCBCRYAKLA-ZIAGYGMSSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
(1R,4R,6R,9R)-10,10-dichloro-N-cyclohexyltricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98349175
N-cyclohexylcyclohepta-2,6-diene-1-carboxamide
CID 143054259
N-piperidin-4-ylbicyclo[4.1.0]heptane-7-carboxamide;hydrochloride
CID 119388101
N-cyclodecylcyclododecanecarboxamide
CID 135182352
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
(1R,2S,3S,4S)-3-(cycloheptylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 903793

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide (CID 814819) is (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide is O=C(NC1CCCCC1)C1[C@@H]2CCC=CCC[C@@H]12.
What is the InChIKey of (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is BIVJHCBCRYAKLA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H25NO/c18-16(17-12-8-4-3-5-9-12)15-13-10-6-1-2-7-11-14(13)15/h1-2,12-15H,3-11H2,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide?
(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 247.38 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 814819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).