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

C13H15NO2 — CID 3133530

IUPACN-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CC=CCC1
InChIInChI=1S/C13H15NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-2,6-10,15H,3-5H2,(H,14,16)
InChIKeyCYGUEFBLPFEAOS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.69
Rot. Bonds2

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

N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 3133530) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID3133530
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CC=CCC1
InChIInChI=1S/C13H15NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-2,6-10,15H,3-5H2,(H,14,16)
InChIKeyCYGUEFBLPFEAOS-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide (CID 3133530) is N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(O)cc1)C1CC=CCC1.
What is the InChIKey of N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is CYGUEFBLPFEAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10/h1-2,6-10,15H,3-5H2,(H,14,16).
What are the key properties of N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide?
N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 3133530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).