4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one

C9H13ClN2O — CID 130609797

IUPAC4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one
SMILESCN(CCCl)c1ccn(C)c(=O)c1
InChIInChI=1S/C9H13ClN2O/c1-11(6-4-10)8-3-5-12(2)9(13)7-8/h3,5,7H,4,6H2,1-2H3
InChIKeyITYMCJXWZRWCHM-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.06
Rot. Bonds3

About 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one

4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one (PubChem CID 130609797) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one
PubChem CID130609797
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one
SMILESCN(CCCl)c1ccn(C)c(=O)c1
InChIInChI=1S/C9H13ClN2O/c1-11(6-4-10)8-3-5-12(2)9(13)7-8/h3,5,7H,4,6H2,1-2H3
InChIKeyITYMCJXWZRWCHM-UHFFFAOYSA-N
XLogP1.06
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one (CID 130609797) is 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one is CN(CCCl)c1ccn(C)c(=O)c1.
What is the InChIKey of 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one?
The InChIKey is ITYMCJXWZRWCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-11(6-4-10)8-3-5-12(2)9(13)7-8/h3,5,7H,4,6H2,1-2H3.
What are the key properties of 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one?
4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one has a molecular weight of 200.67 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloroethyl(methyl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 130609797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).