(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one

C5H7NO2 — CID 101012182

IUPAC(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C=C[C@@H]1O
InChIInChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-4,7H,1H3/t4-/m0/s1
InChIKeyCJHRHMDZSPXOTB-BYPYZUCNSA-N
MW113.12 g/mol
LogP-0.67
Rot. Bonds

About (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one

(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 101012182) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID101012182
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1C(=O)C=C[C@@H]1O
InChIInChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-4,7H,1H3/t4-/m0/s1
InChIKeyCJHRHMDZSPXOTB-BYPYZUCNSA-N
XLogP-0.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one (CID 101012182) is (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one is CN1C(=O)C=C[C@@H]1O.
What is the InChIKey of (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is CJHRHMDZSPXOTB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-4,7H,1H3/t4-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one?
(2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 101012182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).