3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one

C10H9NO3 — CID 171980148

IUPAC3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one
SMILESO=C1NC(O)(c2ccccc2)C=C1O
InChIInChI=1S/C10H9NO3/c12-8-6-10(14,11-9(8)13)7-4-2-1-3-5-7/h1-6,12,14H,(H,11,13)
InChIKeyWOJVKAHFJVOXFL-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.40
Rot. Bonds1

About 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one

3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one (PubChem CID 171980148) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one
PubChem CID171980148
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one
SMILESO=C1NC(O)(c2ccccc2)C=C1O
InChIInChI=1S/C10H9NO3/c12-8-6-10(14,11-9(8)13)7-4-2-1-3-5-7/h1-6,12,14H,(H,11,13)
InChIKeyWOJVKAHFJVOXFL-UHFFFAOYSA-N
XLogP0.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one?
The IUPAC name of 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one (CID 171980148) is 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one.
What is the SMILES notation for 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one?
The canonical SMILES for 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one is O=C1NC(O)(c2ccccc2)C=C1O.
What is the InChIKey of 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one?
The InChIKey is WOJVKAHFJVOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-8-6-10(14,11-9(8)13)7-4-2-1-3-5-7/h1-6,12,14H,(H,11,13).
What are the key properties of 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one?
3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one has a molecular weight of 191.19 g/mol, XLogP of 0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-5-phenyl-1H-pyrrol-2-one is sourced from PubChem (CID 171980148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).