1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione

C17H14N2O3 — CID 135770217

IUPAC1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1/N=C/c1ccccc1O
InChIInChI=1S/C17H14N2O3/c20-15-9-5-4-8-13(15)11-18-19-16(21)10-14(17(19)22)12-6-2-1-3-7-12/h1-9,11,14,20H,10H2/b18-11+
InChIKeyBHMUYEVILLEMJH-WOJGMQOQSA-N
MW294.31 g/mol
LogP2.27
Rot. Bonds3

About 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione

1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione (PubChem CID 135770217) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione
PubChem CID135770217
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(c2ccccc2)C(=O)N1/N=C/c1ccccc1O
InChIInChI=1S/C17H14N2O3/c20-15-9-5-4-8-13(15)11-18-19-16(21)10-14(17(19)22)12-6-2-1-3-7-12/h1-9,11,14,20H,10H2/b18-11+
InChIKeyBHMUYEVILLEMJH-WOJGMQOQSA-N
XLogP2.27
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-{[(E)-(2-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 135446701
2-{[(E)-(4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 135446713
Succinimide, N-(p-methoxybenzylideneimino)-2-phenyl-
CID 9587995
Succinimide, 2-(m-bromophenyl)-N-(o-hydroxybenzylideneamino)-
CID 135770218
N'-(2-hydroxybenzylidene)-2-phenylacetohydrazide
CID 135400303
2-[(E)-(2-Hydroxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135421584
2-{[(E)-(2-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 135592408
2-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]isoindole-1,3-dione
CID 135799454
(5S,5aS,8aS,8bS)-1-acetyl-3-(2-hydroxyphenyl)-7-methyl-5-phenyl-5,5a,8a,8b-tetrahydropyrrolo[3,4-g]indazole-6,8-dione
CID 137298643
1-[5-(4-Fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(2-hydroxyphenyl)ethanone
CID 16070824
2-[(6-Oxo-1-cyclohexa-2,4-dienylidene)methylamino]isoindole-1,3-dione
CID 327845
(E)-N'-(2-Hydroxybenzylidene)-2-(4-isobutylphenyl)propanohydrazide
CID 135688091

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione (CID 135770217) is 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione is O=C1CC(c2ccccc2)C(=O)N1/N=C/c1ccccc1O.
What is the InChIKey of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione?
The InChIKey is BHMUYEVILLEMJH-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-15-9-5-4-8-13(15)11-18-19-16(21)10-14(17(19)22)12-6-2-1-3-7-12/h1-9,11,14,20H,10H2/b18-11+.
What are the key properties of 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione?
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione has a molecular weight of 294.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 135770217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).