4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one

C17H15NO2 — CID 56649060

IUPAC4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(C2=C(c3ccccc3)CNC2=O)cc1
InChIInChI=1S/C17H15NO2/c1-20-14-9-7-13(8-10-14)16-15(11-18-17(16)19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)
InChIKeyBEEUIVYPKVPRRU-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.74
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one

4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one (PubChem CID 56649060) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
PubChem CID56649060
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one
SMILESCOc1ccc(C2=C(c3ccccc3)CNC2=O)cc1
InChIInChI=1S/C17H15NO2/c1-20-14-9-7-13(8-10-14)16-15(11-18-17(16)19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19)
InChIKeyBEEUIVYPKVPRRU-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.74
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

N-(3-Methoxybenzyl)Palmitamide
CID 71765531
(9Z,12Z)-N-(3-Methoxybenzyl)Octadeca-9,12-Dienamide
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N-((4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 746156
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(4-methoxyphenyl)acetamide
CID 4321627
N-(4-methoxyphenethyl)benzamide
CID 3083797
1-(2-(4-methoxyphenyl)ethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2392392
N-(4-methoxybenzyl)biphenyl-4-carboxamide
CID 710674
N-[(4-methoxyphenyl)(2-phenylacetamido)methyl]-2-phenylacetamide
CID 991033

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one (CID 56649060) is 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one is COc1ccc(C2=C(c3ccccc3)CNC2=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one?
The InChIKey is BEEUIVYPKVPRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-14-9-7-13(8-10-14)16-15(11-18-17(16)19)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one?
4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-phenyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 56649060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).