5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one

C9H12N2O — CID 67817743

IUPAC5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
SMILESC=CCNCc1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O/c1-2-5-10-6-8-3-4-9(12)11-7-8/h2-4,7,10H,1,5-6H2,(H,11,12)
InChIKeyYEHQIVGJCQSSPW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.65
Rot. Bonds4

About 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one

5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one (PubChem CID 67817743) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
PubChem CID67817743
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one
SMILESC=CCNCc1ccc(=O)[nH]c1
InChIInChI=1S/C9H12N2O/c1-2-5-10-6-8-3-4-9(12)11-7-8/h2-4,7,10H,1,5-6H2,(H,11,12)
InChIKeyYEHQIVGJCQSSPW-UHFFFAOYSA-N
XLogP0.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one 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 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one (CID 67817743) is 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one is C=CCNCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one?
The InChIKey is YEHQIVGJCQSSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-2-5-10-6-8-3-4-9(12)11-7-8/h2-4,7,10H,1,5-6H2,(H,11,12).
What are the key properties of 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one?
5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one has a molecular weight of 164.21 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(prop-2-enylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 67817743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).