3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one

C5H7NO2 — CID 56604138

IUPAC3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one
SMILESCC1NC(=O)C=C1O
InChIInChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h2-3,7H,1H3,(H,6,8)
InChIKeyLOWWGZQXIRQEAP-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds

About 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one

3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one (PubChem CID 56604138) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one
PubChem CID56604138
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one
SMILESCC1NC(=O)C=C1O
InChIInChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h2-3,7H,1H3,(H,6,8)
InChIKeyLOWWGZQXIRQEAP-UHFFFAOYSA-N
XLogP-0.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one (CID 56604138) is 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one is CC1NC(=O)C=C1O.
What is the InChIKey of 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is LOWWGZQXIRQEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-4(7)2-5(8)6-3/h2-3,7H,1H3,(H,6,8).
What are the key properties of 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one?
3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 113.12 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 56604138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).