1-hydroxy-4-phenyl-2H-pyrrol-5-one

C10H9NO2 — CID 67770940

IUPAC1-hydroxy-4-phenyl-2H-pyrrol-5-one
SMILESO=C1C(c2ccccc2)=CCN1O
InChIInChI=1S/C10H9NO2/c12-10-9(6-7-11(10)13)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyZDQISWPXXICGJT-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.30
Rot. Bonds1

About 1-hydroxy-4-phenyl-2H-pyrrol-5-one

1-hydroxy-4-phenyl-2H-pyrrol-5-one (PubChem CID 67770940) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-hydroxy-4-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-hydroxy-4-phenyl-2H-pyrrol-5-one
PubChem CID67770940
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-hydroxy-4-phenyl-2H-pyrrol-5-one
SMILESO=C1C(c2ccccc2)=CCN1O
InChIInChI=1S/C10H9NO2/c12-10-9(6-7-11(10)13)8-4-2-1-3-5-8/h1-6,13H,7H2
InChIKeyZDQISWPXXICGJT-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-hydroxy-4-phenyl-2H-pyrrol-5-one (CID 67770940) is 1-hydroxy-4-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-hydroxy-4-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-hydroxy-4-phenyl-2H-pyrrol-5-one is O=C1C(c2ccccc2)=CCN1O.
What is the InChIKey of 1-hydroxy-4-phenyl-2H-pyrrol-5-one?
The InChIKey is ZDQISWPXXICGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-9(6-7-11(10)13)8-4-2-1-3-5-8/h1-6,13H,7H2.
What are the key properties of 1-hydroxy-4-phenyl-2H-pyrrol-5-one?
1-hydroxy-4-phenyl-2H-pyrrol-5-one has a molecular weight of 175.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 67770940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).