1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one

C26H25NO2 — CID 10221580

IUPAC1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one
SMILESCCCCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C26H25NO2/c1-2-3-19-27-25(28)23(20-13-7-4-8-14-20)24(21-15-9-5-10-16-21)26(27,29)22-17-11-6-12-18-22/h4-18,29H,2-3,19H2,1H3
InChIKeyYUXDKARSZDIMAI-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.09
Rot. Bonds6

About 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one

1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one (PubChem CID 10221580) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one.

Molecular Properties

Compound Name1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one
PubChem CID10221580
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one
SMILESCCCCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C26H25NO2/c1-2-3-19-27-25(28)23(20-13-7-4-8-14-20)24(21-15-9-5-10-16-21)26(27,29)22-17-11-6-12-18-22/h4-18,29H,2-3,19H2,1H3
InChIKeyYUXDKARSZDIMAI-UHFFFAOYSA-N
XLogP5.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(S)-N-(cis-4-Phenyl)cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
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(S)-N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
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US11078186, Example 87
CID 149037518

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one?
The IUPAC name of 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one (CID 10221580) is 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one.
What is the SMILES notation for 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one?
The canonical SMILES for 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one is CCCCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C1(O)c1ccccc1.
What is the InChIKey of 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one?
The InChIKey is YUXDKARSZDIMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c1-2-3-19-27-25(28)23(20-13-7-4-8-14-20)24(21-15-9-5-10-16-21)26(27,29)22-17-11-6-12-18-22/h4-18,29H,2-3,19H2,1H3.
What are the key properties of 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one?
1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one has a molecular weight of 383.49 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-hydroxy-3,4,5-triphenylpyrrol-2-one is sourced from PubChem (CID 10221580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).