(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one

C7H13NO2 — CID 95757291

IUPAC(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one
SMILESCOC[C@]1(C)CNC(=O)C1
InChIInChI=1S/C7H13NO2/c1-7(5-10-2)3-6(9)8-4-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1
InChIKeyHELHLVHSHBUNGL-ZETCQYMHSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds2

About (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one

(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one (PubChem CID 95757291) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one
PubChem CID95757291
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one
SMILESCOC[C@]1(C)CNC(=O)C1
InChIInChI=1S/C7H13NO2/c1-7(5-10-2)3-6(9)8-4-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1
InChIKeyHELHLVHSHBUNGL-ZETCQYMHSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-4-(methoxymethyl)-4-methylpyrrolidin-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 (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one?
The IUPAC name of (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one (CID 95757291) is (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one is COC[C@]1(C)CNC(=O)C1.
What is the InChIKey of (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one?
The InChIKey is HELHLVHSHBUNGL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(5-10-2)3-6(9)8-4-7/h3-5H2,1-2H3,(H,8,9)/t7-/m0/s1.
What are the key properties of (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one?
(4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methoxymethyl)-4-methylpyrrolidin-2-one is sourced from PubChem (CID 95757291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).