5,5-dihydroxy-1H-pyrrol-2-one

C4H5NO3 — CID 70395376

IUPAC5,5-dihydroxy-1H-pyrrol-2-one
SMILESO=C1C=CC(O)(O)N1
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7,8)5-3/h1-2,7-8H,(H,5,6)
InChIKeyOCLWMJJXCFTEKL-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.69
Rot. Bonds

About 5,5-dihydroxy-1H-pyrrol-2-one

5,5-dihydroxy-1H-pyrrol-2-one (PubChem CID 70395376) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is 5,5-dihydroxy-1H-pyrrol-2-one.

Molecular Properties

Compound Name5,5-dihydroxy-1H-pyrrol-2-one
PubChem CID70395376
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name5,5-dihydroxy-1H-pyrrol-2-one
SMILESO=C1C=CC(O)(O)N1
InChIInChI=1S/C4H5NO3/c6-3-1-2-4(7,8)5-3/h1-2,7-8H,(H,5,6)
InChIKeyOCLWMJJXCFTEKL-UHFFFAOYSA-N
XLogP-1.69
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxy-1H-pyrrol-2-one?
The IUPAC name of 5,5-dihydroxy-1H-pyrrol-2-one (CID 70395376) is 5,5-dihydroxy-1H-pyrrol-2-one.
What is the SMILES notation for 5,5-dihydroxy-1H-pyrrol-2-one?
The canonical SMILES for 5,5-dihydroxy-1H-pyrrol-2-one is O=C1C=CC(O)(O)N1.
What is the InChIKey of 5,5-dihydroxy-1H-pyrrol-2-one?
The InChIKey is OCLWMJJXCFTEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-2-4(7,8)5-3/h1-2,7-8H,(H,5,6).
What are the key properties of 5,5-dihydroxy-1H-pyrrol-2-one?
5,5-dihydroxy-1H-pyrrol-2-one has a molecular weight of 115.09 g/mol, XLogP of -1.69, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxy-1H-pyrrol-2-one is sourced from PubChem (CID 70395376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).