1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one

C12H13NO2 — CID 20574348

IUPAC1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCCN1CC(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C12H13NO2/c1-2-13-8-10(11(14)12(13)15)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3
InChIKeyIGTKKGFOCDBMJC-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.82
Rot. Bonds2

About 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one

1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 20574348) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID20574348
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCCN1CC(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C12H13NO2/c1-2-13-8-10(11(14)12(13)15)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3
InChIKeyIGTKKGFOCDBMJC-UHFFFAOYSA-N
XLogP1.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 20574348) is 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one is CCN1CC(c2ccccc2)=C(O)C1=O.
What is the InChIKey of 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is IGTKKGFOCDBMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-13-8-10(11(14)12(13)15)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3.
What are the key properties of 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 203.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 20574348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).