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

C14H17NO2 — CID 20574360

IUPAC1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCCCCN1CC(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C14H17NO2/c1-2-3-9-15-10-12(13(16)14(15)17)11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3
InChIKeyYDOSYKLYAJHVON-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.60
Rot. Bonds4

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

1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 20574360) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID20574360
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESCCCCN1CC(c2ccccc2)=C(O)C1=O
InChIInChI=1S/C14H17NO2/c1-2-3-9-15-10-12(13(16)14(15)17)11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3
InChIKeyYDOSYKLYAJHVON-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 20574360) is 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one is CCCCN1CC(c2ccccc2)=C(O)C1=O.
What is the InChIKey of 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is YDOSYKLYAJHVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-3-9-15-10-12(13(16)14(15)17)11-7-5-4-6-8-11/h4-8,16H,2-3,9-10H2,1H3.
What are the key properties of 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 231.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 20574360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).