2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione

C16H12N2O4 — CID 135448416

IUPAC2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O
InChIInChI=1S/C16H12N2O4/c1-22-14-8-10(6-7-13(14)19)9-17-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-9,19H,1H3/b17-9+
InChIKeySCNOYLZGBZEXSS-RQZCQDPDSA-N
MW296.28 g/mol
LogP2.03
Rot. Bonds3

About 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135448416) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135448416
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O
InChIInChI=1S/C16H12N2O4/c1-22-14-8-10(6-7-13(14)19)9-17-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-9,19H,1H3/b17-9+
InChIKeySCNOYLZGBZEXSS-RQZCQDPDSA-N
XLogP2.03
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Benzoic (4-hydroxy-3-methoxybenzylidene)hydrazide
CID 135437609
2-[(4-methoxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 6861406
N-(Veratrylideneamino)-phthalimide
CID 6861638
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-N-methylbenzamide
CID 71451776
17-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 135517181
(6E)-6-[[(1,3-dihydroxyisoindol-2-yl)amino]methylidene]cyclohex-4-ene-1,2,3-trione
CID 135676063
2-[6-[(4-Hydroxy-3-methoxyphenyl)methylamino]hexyl]isoindole-1,3-dione
CID 162676864
2-[(3,4-dihydroxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 135401392
2-(1,3-Benzodioxol-5-ylmethylideneamino)isoindole-1,3-dione
CID 280596
2-{[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3-dione
CID 135446703
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135540892
[5-(4-Hydroxy-3-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 137175204

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 135448416) is 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione is COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O.
What is the InChIKey of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is SCNOYLZGBZEXSS-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-22-14-8-10(6-7-13(14)19)9-17-18-15(20)11-4-2-3-5-12(11)16(18)21/h2-9,19H,1H3/b17-9+.
What are the key properties of 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 296.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135448416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).