3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one

C19H18N2O3 — CID 135500557

IUPAC3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
SMILESC/C(=N\c1ccccc1)C1=C(O)C(Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C19H18N2O3/c1-12(20-14-5-3-2-4-6-14)17-18(23)16(21-19(17)24)11-13-7-9-15(22)10-8-13/h2-10,16,22-23H,11H2,1H3,(H,21,24)/b20-12+
InChIKeyCDSZPMMTWNONAM-UDWIEESQSA-N
MW322.36 g/mol
LogP3.04
Rot. Bonds4

About 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one

3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one (PubChem CID 135500557) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
PubChem CID135500557
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
SMILESC/C(=N\c1ccccc1)C1=C(O)C(Cc2ccc(O)cc2)NC1=O
InChIInChI=1S/C19H18N2O3/c1-12(20-14-5-3-2-4-6-14)17-18(23)16(21-19(17)24)11-13-7-9-15(22)10-8-13/h2-10,16,22-23H,11H2,1H3,(H,21,24)/b20-12+
InChIKeyCDSZPMMTWNONAM-UDWIEESQSA-N
XLogP3.04
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 135427136
(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 136734365
(2S)-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 136846996
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
(3R,6R)-3,6-bis[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59269972
4-(C-methyl-N-phenylcarbonimidoyl)phenol
CID 135442227
3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
CID 71003969
2-[(2S,5S)-5-[(4-hydroxyphenyl)methyl]-3,6-dioxopiperazin-2-yl]acetic acid
CID 171116511
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54727855
(3S,6S,9S)-9-benzyl-6-[(4-hydroxyphenyl)methyl]-3-methyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 24853681
(5S)-3-[(6R)-1-hydroxy-4,6-dimethylocta-2,4-dienylidene]-5-[(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
CID 162971522
6-benzylpiperazine-2,3,5-trione
CID 14446168

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one (CID 135500557) is 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one is C/C(=N\c1ccccc1)C1=C(O)C(Cc2ccc(O)cc2)NC1=O.
What is the InChIKey of 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The InChIKey is CDSZPMMTWNONAM-UDWIEESQSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(20-14-5-3-2-4-6-14)17-18(23)16(21-19(17)24)11-13-7-9-15(22)10-8-13/h2-10,16,22-23H,11H2,1H3,(H,21,24)/b20-12+.
What are the key properties of 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one has a molecular weight of 322.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135500557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).