5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one

C19H19NO2 — CID 13046809

IUPAC5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one
SMILESCCOC1(c2ccccc2)NC(=O)C(c2ccccc2)=C1C
InChIInChI=1S/C19H19NO2/c1-3-22-19(16-12-8-5-9-13-16)14(2)17(18(21)20-19)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3,(H,20,21)
InChIKeyVUJRAVKAAYXHPA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.48
Rot. Bonds4

About 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one

5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one (PubChem CID 13046809) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one
PubChem CID13046809
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one
SMILESCCOC1(c2ccccc2)NC(=O)C(c2ccccc2)=C1C
InChIInChI=1S/C19H19NO2/c1-3-22-19(16-12-8-5-9-13-16)14(2)17(18(21)20-19)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3,(H,20,21)
InChIKeyVUJRAVKAAYXHPA-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-benzyl-6-phenylmethoxy-1H-pyridin-2-one
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N-(2,6-dimethyl-4-oxo-1-propoxycyclohexa-2,5-dien-1-yl)benzamide
CID 3240517
N-[Methoxy(phenyl)methyl]benzamide
CID 569592
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)benzamide
CID 2817603
N-(1-carbamoylcyclohexyl)-4-(propan-2-yloxymethyl)benzamide
CID 45897462
N-benzyl-4-ethenyl-2-(4-fluorophenyl)-2,5-dihydrofuran-3-carboxamide
CID 57328407
4-ethenyl-2-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-2,5-dihydrofuran-3-carboxamide
CID 57328481
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CID 57328483

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one?
The IUPAC name of 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one (CID 13046809) is 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one.
What is the SMILES notation for 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one?
The canonical SMILES for 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one is CCOC1(c2ccccc2)NC(=O)C(c2ccccc2)=C1C.
What is the InChIKey of 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one?
The InChIKey is VUJRAVKAAYXHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-22-19(16-12-8-5-9-13-16)14(2)17(18(21)20-19)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3,(H,20,21).
What are the key properties of 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one?
5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one has a molecular weight of 293.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-methyl-3,5-diphenyl-1H-pyrrol-2-one is sourced from PubChem (CID 13046809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).