3-[2-(methylamino)ethyl]-1H-pyridin-2-one

C8H12N2O — CID 83872614

IUPAC3-[2-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCNCCc1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-9-6-4-7-3-2-5-10-8(7)11/h2-3,5,9H,4,6H2,1H3,(H,10,11)
InChIKeyBGLYTMYWLFKZTQ-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.14
Rot. Bonds3

About 3-[2-(methylamino)ethyl]-1H-pyridin-2-one

3-[2-(methylamino)ethyl]-1H-pyridin-2-one (PubChem CID 83872614) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-[2-(methylamino)ethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethyl]-1H-pyridin-2-one
PubChem CID83872614
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3-[2-(methylamino)ethyl]-1H-pyridin-2-one
SMILESCNCCc1ccc[nH]c1=O
InChIInChI=1S/C8H12N2O/c1-9-6-4-7-3-2-5-10-8(7)11/h2-3,5,9H,4,6H2,1H3,(H,10,11)
InChIKeyBGLYTMYWLFKZTQ-UHFFFAOYSA-N
XLogP0.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Dihydro-N-methyl-6-oxonicotinamide
CID 70510
3-Ethylpyridin-2-ol
CID 12354337
6-Hydroxypseudooxynicotine
CID 439476
6-hydroxy-N-methylmyosmine
CID 52944012
6-hydroxy-N-methylmyosmine(1+)
CID 91820593
5-(Aminomethyl)pyridin-2(1H)-one
CID 14846981
6-Hydroxypseudooxynicotinium(1+)
CID 25201146
5-Dimethylaminomethyl-1H-pyridin-2-one
CID 14846982
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 12374555
5-Ethyl-2-pyridinol
CID 19365871
N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 19692588

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)ethyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(methylamino)ethyl]-1H-pyridin-2-one (CID 83872614) is 3-[2-(methylamino)ethyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(methylamino)ethyl]-1H-pyridin-2-one is CNCCc1ccc[nH]c1=O.
What is the InChIKey of 3-[2-(methylamino)ethyl]-1H-pyridin-2-one?
The InChIKey is BGLYTMYWLFKZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-9-6-4-7-3-2-5-10-8(7)11/h2-3,5,9H,4,6H2,1H3,(H,10,11).
What are the key properties of 3-[2-(methylamino)ethyl]-1H-pyridin-2-one?
3-[2-(methylamino)ethyl]-1H-pyridin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethyl]-1H-pyridin-2-one is sourced from PubChem (CID 83872614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).