N-cyclohexa-2,4-dien-1-ylformamide

C7H9NO — CID 22397715

IUPACN-cyclohexa-2,4-dien-1-ylformamide
SMILESO=CNC1C=CC=CC1
InChIInChI=1S/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H,8,9)
InChIKeyYMMPDOKRJSXSJM-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.62
Rot. Bonds2

About N-cyclohexa-2,4-dien-1-ylformamide

N-cyclohexa-2,4-dien-1-ylformamide (PubChem CID 22397715) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylformamide.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylformamide
PubChem CID22397715
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-cyclohexa-2,4-dien-1-ylformamide
SMILESO=CNC1C=CC=CC1
InChIInChI=1S/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H,8,9)
InChIKeyYMMPDOKRJSXSJM-UHFFFAOYSA-N
XLogP0.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexa-2,4-dien-1-ylformamide 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-cyclohexa-2,4-dien-1-ylformamide?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylformamide (CID 22397715) is N-cyclohexa-2,4-dien-1-ylformamide.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylformamide?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylformamide is O=CNC1C=CC=CC1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylformamide?
The InChIKey is YMMPDOKRJSXSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H,8,9).
What are the key properties of N-cyclohexa-2,4-dien-1-ylformamide?
N-cyclohexa-2,4-dien-1-ylformamide has a molecular weight of 123.15 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylformamide is sourced from PubChem (CID 22397715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).