1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one

C18H17NO3 — CID 54748179

IUPAC1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2=C(O)CN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C18H17NO3/c1-22-15-9-5-8-14(10-15)17-16(20)12-19(18(17)21)11-13-6-3-2-4-7-13/h2-10,20H,11-12H2,1H3
InChIKeyHTNGRHYEKPHJNZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.01
Rot. Bonds4

About 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one

1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 54748179) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID54748179
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2=C(O)CN(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C18H17NO3/c1-22-15-9-5-8-14(10-15)17-16(20)12-19(18(17)21)11-13-6-3-2-4-7-13/h2-10,20H,11-12H2,1H3
InChIKeyHTNGRHYEKPHJNZ-UHFFFAOYSA-N
XLogP3.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-hydroxy-1-[[4-(3-methoxyphenyl)phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
CID 118177177
(4S)-6-benzyl-4-(3-methoxyphenyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7202205
1-benzyl-3-[(3-methoxyphenyl)methyl]-4-methyl-2H-imidazole
CID 174611565
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
2-benzyl-5-(4-methoxyphenyl)-4-methylsulfanyl-1H-2-benzazepin-3-one
CID 169084166
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
(2R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2,3-diphenyl-2H-pyrrol-5-one
CID 94072924
3-hydroxy-1-(3-methoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110581161
1-benzyl-3-[(3-methoxyphenyl)methyl]-3-methylpyrrolidin-2-one
CID 10063941
6-[(3-methoxyphenyl)methyl]-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46275087
1-[4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 46070693
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one (CID 54748179) is 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one is COc1cccc(C2=C(O)CN(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is HTNGRHYEKPHJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-22-15-9-5-8-14(10-15)17-16(20)12-19(18(17)21)11-13-6-3-2-4-7-13/h2-10,20H,11-12H2,1H3.
What are the key properties of 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one?
1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 295.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-hydroxy-4-(3-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 54748179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).