4-hydroxy-1-methylpyrrolidin-3-one

C5H9NO2 — CID 58116879

IUPAC4-hydroxy-1-methylpyrrolidin-3-one
SMILESCN1CC(=O)C(O)C1
InChIInChI=1S/C5H9NO2/c1-6-2-4(7)5(8)3-6/h4,7H,2-3H2,1H3
InChIKeyPPXHXEOEWWRYSO-UHFFFAOYSA-N
MW115.13 g/mol
LogP-1.14
Rot. Bonds

About 4-hydroxy-1-methylpyrrolidin-3-one

4-hydroxy-1-methylpyrrolidin-3-one (PubChem CID 58116879) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 4-hydroxy-1-methylpyrrolidin-3-one.

Molecular Properties

Compound Name4-hydroxy-1-methylpyrrolidin-3-one
PubChem CID58116879
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name4-hydroxy-1-methylpyrrolidin-3-one
SMILESCN1CC(=O)C(O)C1
InChIInChI=1S/C5H9NO2/c1-6-2-4(7)5(8)3-6/h4,7H,2-3H2,1H3
InChIKeyPPXHXEOEWWRYSO-UHFFFAOYSA-N
XLogP-1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methylpyrrolidin-3-one?
The IUPAC name of 4-hydroxy-1-methylpyrrolidin-3-one (CID 58116879) is 4-hydroxy-1-methylpyrrolidin-3-one.
What is the SMILES notation for 4-hydroxy-1-methylpyrrolidin-3-one?
The canonical SMILES for 4-hydroxy-1-methylpyrrolidin-3-one is CN1CC(=O)C(O)C1.
What is the InChIKey of 4-hydroxy-1-methylpyrrolidin-3-one?
The InChIKey is PPXHXEOEWWRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-2-4(7)5(8)3-6/h4,7H,2-3H2,1H3.
What are the key properties of 4-hydroxy-1-methylpyrrolidin-3-one?
4-hydroxy-1-methylpyrrolidin-3-one has a molecular weight of 115.13 g/mol, XLogP of -1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylpyrrolidin-3-one is sourced from PubChem (CID 58116879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).