(1S)-cyclohexa-2,4-diene-1-carboxamide

C7H9NO — CID 90989658

IUPAC(1S)-cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)[C@@H]1C=CC=CC1
InChIInChI=1S/C7H9NO/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,8,9)/t6-/m1/s1
InChIKeyPOCZANBVCLBPGL-ZCFIWIBFSA-N
MW123.15 g/mol
LogP0.60
Rot. Bonds1

About (1S)-cyclohexa-2,4-diene-1-carboxamide

(1S)-cyclohexa-2,4-diene-1-carboxamide (PubChem CID 90989658) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (1S)-cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name(1S)-cyclohexa-2,4-diene-1-carboxamide
PubChem CID90989658
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(1S)-cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)[C@@H]1C=CC=CC1
InChIInChI=1S/C7H9NO/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,8,9)/t6-/m1/s1
InChIKeyPOCZANBVCLBPGL-ZCFIWIBFSA-N
XLogP0.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-cyclohexa-2,4-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

Related Compounds

Cyclopent-3-ene-1-carboxamide
CID 26369821
2-Cyclobutene-1-carboxamide
CID 543065
Dihydrobenzoylamine
CID 18942709
2,5-Cyclohexadiene-1-carboxamide
CID 24977690
8-Decatrienamide
CID 129848103
2-Oxomethylenebenzamide
CID 129851024
6-Chloro-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 67305090
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
1-Fluorocyclohexa-2,4-diene-1-carboxamide
CID 90030120
5-Fluoro-3-methylcyclohexa-2,4-diene-1-carboxamide
CID 129273137
2-(4-Fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 132159217
6-Amino-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 141518785

Frequently Asked Questions

What is the IUPAC name of (1S)-cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of (1S)-cyclohexa-2,4-diene-1-carboxamide (CID 90989658) is (1S)-cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for (1S)-cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for (1S)-cyclohexa-2,4-diene-1-carboxamide is NC(=O)[C@@H]1C=CC=CC1.
What is the InChIKey of (1S)-cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is POCZANBVCLBPGL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9NO/c8-7(9)6-4-2-1-3-5-6/h1-4,6H,5H2,(H2,8,9)/t6-/m1/s1.
What are the key properties of (1S)-cyclohexa-2,4-diene-1-carboxamide?
(1S)-cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 123.15 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 90989658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).