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

C5H9NO2 — CID 11062347

IUPAC(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C[C@@H]1O
InChIInChI=1S/C5H9NO2/c1-3-4(7)2-5(8)6-3/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m0/s1
InChIKeyZBCVDJNHLQMBTG-IMJSIDKUSA-N
MW115.13 g/mol
LogP-0.74
Rot. Bonds

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

(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one (PubChem CID 11062347) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one
PubChem CID11062347
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one
SMILESC[C@@H]1NC(=O)C[C@@H]1O
InChIInChI=1S/C5H9NO2/c1-3-4(7)2-5(8)6-3/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m0/s1
InChIKeyZBCVDJNHLQMBTG-IMJSIDKUSA-N
XLogP-0.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.74
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-5-methylpyrrolidin-2-one?
The IUPAC name of (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one (CID 11062347) is (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one is C[C@@H]1NC(=O)C[C@@H]1O.
What is the InChIKey of (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one?
The InChIKey is ZBCVDJNHLQMBTG-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4(7)2-5(8)6-3/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one?
(4S,5S)-4-hydroxy-5-methylpyrrolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.74, 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-5-methylpyrrolidin-2-one is sourced from PubChem (CID 11062347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).