N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide

C14H14N2O — CID 42908998

IUPACN-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C14H14N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5H2,(H,16,17)
InChIKeyKJTLRJAJNJWRCG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.85
Rot. Bonds2

About N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide

N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 42908998) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
PubChem CID42908998
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC=CCC2)cc1
InChIInChI=1S/C14H14N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5H2,(H,16,17)
InChIKeyKJTLRJAJNJWRCG-UHFFFAOYSA-N
XLogP2.85
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.85
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 N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide (CID 42908998) is N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide is N#Cc1ccc(NC(=O)C2CC=CCC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is KJTLRJAJNJWRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h1-2,6-9,12H,3-5H2,(H,16,17).
What are the key properties of N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide?
N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 42908998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).