4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one

C9H17NO2 — CID 54293495

IUPAC4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one
SMILESCOC[C@@H](C)CC1CNC(=O)C1
InChIInChI=1S/C9H17NO2/c1-7(6-12-2)3-8-4-9(11)10-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8?/m0/s1
InChIKeyRZEDZKMMIARGHS-JAMMHHFISA-N
MW171.24 g/mol
LogP0.80
Rot. Bonds4

About 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one

4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one (PubChem CID 54293495) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one
PubChem CID54293495
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one
SMILESCOC[C@@H](C)CC1CNC(=O)C1
InChIInChI=1S/C9H17NO2/c1-7(6-12-2)3-8-4-9(11)10-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8?/m0/s1
InChIKeyRZEDZKMMIARGHS-JAMMHHFISA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(2S)-3-methoxy-2-methylpropyl]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 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one?
The IUPAC name of 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one (CID 54293495) is 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one is COC[C@@H](C)CC1CNC(=O)C1.
What is the InChIKey of 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one?
The InChIKey is RZEDZKMMIARGHS-JAMMHHFISA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(6-12-2)3-8-4-9(11)10-5-8/h7-8H,3-6H2,1-2H3,(H,10,11)/t7-,8?/m0/s1.
What are the key properties of 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one?
4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-methoxy-2-methylpropyl]pyrrolidin-2-one is sourced from PubChem (CID 54293495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).