N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide

C9H13NO — CID 19888920

IUPACN-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
SMILESO=CNCCC1=CC=CCC1
InChIInChI=1S/C9H13NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-2,4,8H,3,5-7H2,(H,10,11)
InChIKeyXNYGRMHSPATOML-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.40
Rot. Bonds4

About N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide

N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide (PubChem CID 19888920) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
PubChem CID19888920
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylethyl)formamide
SMILESO=CNCCC1=CC=CCC1
InChIInChI=1S/C9H13NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-2,4,8H,3,5-7H2,(H,10,11)
InChIKeyXNYGRMHSPATOML-UHFFFAOYSA-N
XLogP1.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide 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-(2-cyclohexa-1,3-dien-1-ylethyl)formamide?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide (CID 19888920) is N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide is O=CNCCC1=CC=CCC1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide?
The InChIKey is XNYGRMHSPATOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-2,4,8H,3,5-7H2,(H,10,11).
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide?
N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide has a molecular weight of 151.21 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylethyl)formamide is sourced from PubChem (CID 19888920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).