3,4-dihydroxy-1-methyl-2H-pyrrol-5-one

C5H7NO3 — CID 54712605

IUPAC3,4-dihydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(O)=C(O)C1=O
InChIInChI=1S/C5H7NO3/c1-6-2-3(7)4(8)5(6)9/h7-8H,2H2,1H3
InChIKeyZGWMYAGTPIXFOD-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.21
Rot. Bonds

About 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one

3,4-dihydroxy-1-methyl-2H-pyrrol-5-one (PubChem CID 54712605) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-methyl-2H-pyrrol-5-one
PubChem CID54712605
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3,4-dihydroxy-1-methyl-2H-pyrrol-5-one
SMILESCN1CC(O)=C(O)C1=O
InChIInChI=1S/C5H7NO3/c1-6-2-3(7)4(8)5(6)9/h7-8H,2H2,1H3
InChIKeyZGWMYAGTPIXFOD-UHFFFAOYSA-N
XLogP-0.21
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one (CID 54712605) is 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one is CN1CC(O)=C(O)C1=O.
What is the InChIKey of 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one?
The InChIKey is ZGWMYAGTPIXFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-6-2-3(7)4(8)5(6)9/h7-8H,2H2,1H3.
What are the key properties of 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one?
3,4-dihydroxy-1-methyl-2H-pyrrol-5-one has a molecular weight of 129.11 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 54712605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).