1-methyl-3-(methylamino)pyrrolidin-2-one

C6H12N2O — CID 22277807

IUPAC1-methyl-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C)C1=O
InChIInChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3
InChIKeySJGKIXYZIBZILH-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.56
Rot. Bonds1

About 1-methyl-3-(methylamino)pyrrolidin-2-one

1-methyl-3-(methylamino)pyrrolidin-2-one (PubChem CID 22277807) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-methyl-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-(methylamino)pyrrolidin-2-one
PubChem CID22277807
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-methyl-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(C)C1=O
InChIInChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3
InChIKeySJGKIXYZIBZILH-UHFFFAOYSA-N
XLogP-0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-3-(methylamino)pyrrolidin-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 1-methyl-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-(methylamino)pyrrolidin-2-one (CID 22277807) is 1-methyl-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-(methylamino)pyrrolidin-2-one is CNC1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-(methylamino)pyrrolidin-2-one?
The InChIKey is SJGKIXYZIBZILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-methyl-3-(methylamino)pyrrolidin-2-one?
1-methyl-3-(methylamino)pyrrolidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 22277807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).