1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one

C13H21NO3 — CID 154981358

IUPAC1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one
SMILESC[C@H]1[C@H](C)C(=O)O[C@@H]1CCCN1CCCC1=O
InChIInChI=1S/C13H21NO3/c1-9-10(2)13(16)17-11(9)5-3-7-14-8-4-6-12(14)15/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyCTMIOOORAPVYBH-GARJFASQSA-N
MW239.31 g/mol
LogP1.59
Rot. Bonds4

About 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one

1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one (PubChem CID 154981358) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one
PubChem CID154981358
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one
SMILESC[C@H]1[C@H](C)C(=O)O[C@@H]1CCCN1CCCC1=O
InChIInChI=1S/C13H21NO3/c1-9-10(2)13(16)17-11(9)5-3-7-14-8-4-6-12(14)15/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m0/s1
InChIKeyCTMIOOORAPVYBH-GARJFASQSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]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-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one (CID 154981358) is 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one is C[C@H]1[C@H](C)C(=O)O[C@@H]1CCCN1CCCC1=O.
What is the InChIKey of 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one?
The InChIKey is CTMIOOORAPVYBH-GARJFASQSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9-10(2)13(16)17-11(9)5-3-7-14-8-4-6-12(14)15/h9-11H,3-8H2,1-2H3/t9-,10-,11+/m0/s1.
What are the key properties of 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one?
1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one has a molecular weight of 239.31 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R,3S,4S)-3,4-dimethyl-5-oxooxolan-2-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 154981358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).