1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide

C15H22N2O — CID 113330028

IUPAC1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCC2=CCCC2)CCCCC1
InChIInChI=1S/C15H22N2O/c16-12-15(9-4-1-5-10-15)14(18)17-11-8-13-6-2-3-7-13/h6H,1-5,7-11H2,(H,17,18)
InChIKeyDLZUFGLCWFAEIL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.08
Rot. Bonds4

About 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide

1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 113330028) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID113330028
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCCC2=CCCC2)CCCCC1
InChIInChI=1S/C15H22N2O/c16-12-15(9-4-1-5-10-15)14(18)17-11-8-13-6-2-3-7-13/h6H,1-5,7-11H2,(H,17,18)
InChIKeyDLZUFGLCWFAEIL-UHFFFAOYSA-N
XLogP3.08
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
1-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 115437246
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrrolidine-2-carboxamide
CID 106175171
N-[2-(cyclopenten-1-yl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 114154046
1-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 64531164
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 43021008
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
CID 55028534
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-[2-(cyclohexen-1-yl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 107855984

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide (CID 113330028) is 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide is N#CC1(C(=O)NCCC2=CCCC2)CCCCC1.
What is the InChIKey of 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is DLZUFGLCWFAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-12-15(9-4-1-5-10-15)14(18)17-11-8-13-6-2-3-7-13/h6H,1-5,7-11H2,(H,17,18).
What are the key properties of 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide?
1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113330028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).