5-hydroxy-1-methylpyrrolidin-2-one

C5H9NO2 — CID 6426685

IUPAC5-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1O
InChIInChI=1S/C5H9NO2/c1-6-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3
InChIKeyRMBHYULORNYSOB-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.44
Rot. Bonds

About 5-hydroxy-1-methylpyrrolidin-2-one

5-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 6426685) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 5-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methylpyrrolidin-2-one
PubChem CID6426685
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name5-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1O
InChIInChI=1S/C5H9NO2/c1-6-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3
InChIKeyRMBHYULORNYSOB-UHFFFAOYSA-N
XLogP-0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methylpyrrolidin-2-one (CID 6426685) is 5-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methylpyrrolidin-2-one is CN1C(=O)CCC1O.
What is the InChIKey of 5-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is RMBHYULORNYSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-6-4(7)2-3-5(6)8/h4,7H,2-3H2,1H3.
What are the key properties of 5-hydroxy-1-methylpyrrolidin-2-one?
5-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 115.13 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 6426685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).