4-phenylcyclohexa-1,5-diene-1-carboxamide

C13H13NO — CID 22238857

IUPAC4-phenylcyclohexa-1,5-diene-1-carboxamide
SMILESNC(=O)C1=CCC(c2ccccc2)C=C1
InChIInChI=1S/C13H13NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-6,8-9,11H,7H2,(H2,14,15)
InChIKeyJLIZMQUAUBHOPG-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.14
Rot. Bonds2

About 4-phenylcyclohexa-1,5-diene-1-carboxamide

4-phenylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 22238857) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-phenylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-phenylcyclohexa-1,5-diene-1-carboxamide
PubChem CID22238857
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name4-phenylcyclohexa-1,5-diene-1-carboxamide
SMILESNC(=O)C1=CCC(c2ccccc2)C=C1
InChIInChI=1S/C13H13NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-6,8-9,11H,7H2,(H2,14,15)
InChIKeyJLIZMQUAUBHOPG-UHFFFAOYSA-N
XLogP2.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-phenylcyclohexa-1,5-diene-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 4-phenylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-phenylcyclohexa-1,5-diene-1-carboxamide (CID 22238857) is 4-phenylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-phenylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-phenylcyclohexa-1,5-diene-1-carboxamide is NC(=O)C1=CCC(c2ccccc2)C=C1.
What is the InChIKey of 4-phenylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is JLIZMQUAUBHOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-6,8-9,11H,7H2,(H2,14,15).
What are the key properties of 4-phenylcyclohexa-1,5-diene-1-carboxamide?
4-phenylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 22238857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).