5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one

C9H11ClN2O — CID 82505902

IUPAC5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one
SMILESNCc1ccc(=O)n(C/C=C/Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-4-1-5-12-7-8(6-11)2-3-9(12)13/h1-4,7H,5-6,11H2/b4-1+
InChIKeyPRKUUDRJLYNFIT-DAFODLJHSA-N
MW198.65 g/mol
LogP1.06
Rot. Bonds3

About 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one

5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one (PubChem CID 82505902) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one
PubChem CID82505902
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one
SMILESNCc1ccc(=O)n(C/C=C/Cl)c1
InChIInChI=1S/C9H11ClN2O/c10-4-1-5-12-7-8(6-11)2-3-9(12)13/h1-4,7H,5-6,11H2/b4-1+
InChIKeyPRKUUDRJLYNFIT-DAFODLJHSA-N
XLogP1.06
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]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

Related Compounds

5-(aminomethyl)-1-methylpyridin-2-one;hydrochloride
CID 117273827
5-amino-1-[(E)-3-chloroprop-2-enyl]-4-methylpyridin-2-one
CID 107900585
1-[[4-(aminomethyl)phenyl]methyl]-5-chloropyridin-2-one
CID 82032049
[(E)-3-(5-ethyl-2-oxo-1-pyridinyl)prop-1-enyl]boronic acid
CID 170600998
5-[4-(aminomethyl)phenyl]-1-methylpyridin-2-one
CID 170269892
1-ethyl-5-prop-2-enylpyridin-2-one
CID 165139005
5-chloro-1-[(E)-3-phenylprop-2-enyl]pyridin-2-one
CID 901048
1,5-dibenzylpyridin-2-one
CID 24938871
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 63279493
1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 94758177
6-bromo-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one
CID 131236057
1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
CID 82032086

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one?
The IUPAC name of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one (CID 82505902) is 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one?
The canonical SMILES for 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one is NCc1ccc(=O)n(C/C=C/Cl)c1.
What is the InChIKey of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one?
The InChIKey is PRKUUDRJLYNFIT-DAFODLJHSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-4-1-5-12-7-8(6-11)2-3-9(12)13/h1-4,7H,5-6,11H2/b4-1+.
What are the key properties of 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one?
5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one has a molecular weight of 198.65 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-[(E)-3-chloroprop-2-enyl]pyridin-2-one is sourced from PubChem (CID 82505902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).