(4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one

C6H11NO2 — CID 55299894

IUPAC(4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C[C@]1(C)O
InChIInChI=1S/C6H11NO2/c1-4-6(2,9)3-5(8)7-4/h4,9H,3H2,1-2H3,(H,7,8)/t4-,6-/m0/s1
InChIKeyWBFRBRMRPKBGIL-NJGYIYPDSA-N
MW129.16 g/mol
LogP-0.35
Rot. Bonds

About (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one

(4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one (PubChem CID 55299894) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one
PubChem CID55299894
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C[C@]1(C)O
InChIInChI=1S/C6H11NO2/c1-4-6(2,9)3-5(8)7-4/h4,9H,3H2,1-2H3,(H,7,8)/t4-,6-/m0/s1
InChIKeyWBFRBRMRPKBGIL-NJGYIYPDSA-N
XLogP-0.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one (CID 55299894) is (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one is C[C@@H]1NC(=O)C[C@]1(C)O.
What is the InChIKey of (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one?
The InChIKey is WBFRBRMRPKBGIL-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-6(2,9)3-5(8)7-4/h4,9H,3H2,1-2H3,(H,7,8)/t4-,6-/m0/s1.
What are the key properties of (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one?
(4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-hydroxy-4,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 55299894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).