1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide

C15H22N2O — CID 48874284

IUPAC1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CC=CCC2)CCCCC1
InChIInChI=1S/C15H22N2O/c16-12-15(9-5-2-6-10-15)14(18)17-11-13-7-3-1-4-8-13/h1,3,13H,2,4-11H2,(H,17,18)
InChIKeyDVELDLMLOQZLHP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.93
Rot. Bonds3

About 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide

1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 48874284) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide
PubChem CID48874284
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CC=CCC2)CCCCC1
InChIInChI=1S/C15H22N2O/c16-12-15(9-5-2-6-10-15)14(18)17-11-13-7-3-1-4-8-13/h1,3,13H,2,4-11H2,(H,17,18)
InChIKeyDVELDLMLOQZLHP-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide (CID 48874284) is 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCC2CC=CCC2)CCCCC1.
What is the InChIKey of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is DVELDLMLOQZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-12-15(9-5-2-6-10-15)14(18)17-11-13-7-3-1-4-8-13/h1,3,13H,2,4-11H2,(H,17,18).
What are the key properties of 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide?
1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(cyclohex-3-en-1-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 48874284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).