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

C6H12N2O — CID 94236128

IUPAC(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@H]1CCN(C)C1=O
InChIInChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeySJGKIXYZIBZILH-YFKPBYRVSA-N
MW128.17 g/mol
LogP-0.56
Rot. Bonds1

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

(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one (PubChem CID 94236128) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
PubChem CID94236128
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(3S)-1-methyl-3-(methylamino)pyrrolidin-2-one
SMILESCN[C@H]1CCN(C)C1=O
InChIInChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3/t5-/m0/s1
InChIKeySJGKIXYZIBZILH-YFKPBYRVSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one (CID 94236128) is (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one is CN[C@H]1CCN(C)C1=O.
What is the InChIKey of (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one?
The InChIKey is SJGKIXYZIBZILH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-5-3-4-8(2)6(5)9/h5,7H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one?
(3S)-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 (3S)-1-methyl-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 94236128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).