4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one

C13H19N3O2 — CID 146139434

IUPAC4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CNC2C(=O)NCC2(C)C)cc1=O
InChIInChI=1S/C13H19N3O2/c1-13(2)8-15-12(18)11(13)14-7-9-4-5-16(3)10(17)6-9/h4-6,11,14H,7-8H2,1-3H3,(H,15,18)
InChIKeyOFJJBALPFRKDHI-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.00
Rot. Bonds3

About 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one

4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one (PubChem CID 146139434) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one
PubChem CID146139434
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one
SMILESCn1ccc(CNC2C(=O)NCC2(C)C)cc1=O
InChIInChI=1S/C13H19N3O2/c1-13(2)8-15-12(18)11(13)14-7-9-4-5-16(3)10(17)6-9/h4-6,11,14H,7-8H2,1-3H3,(H,15,18)
InChIKeyOFJJBALPFRKDHI-UHFFFAOYSA-N
XLogP-0.00
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one (CID 146139434) is 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one is Cn1ccc(CNC2C(=O)NCC2(C)C)cc1=O.
What is the InChIKey of 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one?
The InChIKey is OFJJBALPFRKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2)8-15-12(18)11(13)14-7-9-4-5-16(3)10(17)6-9/h4-6,11,14H,7-8H2,1-3H3,(H,15,18).
What are the key properties of 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one?
4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4,4-dimethyl-2-oxopyrrolidin-3-yl)amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 146139434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).