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

C15H10N2O3 — CID 135452548

IUPAC2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H10N2O3/c18-11-7-5-10(6-8-11)9-16-17-14(19)12-3-1-2-4-13(12)15(17)20/h1-9,18H/b16-9+
InChIKeyUFAPHVMNWBAQAP-CXUHLZMHSA-N
MW266.26 g/mol
LogP2.02
Rot. Bonds2

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

2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135452548) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135452548
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C15H10N2O3/c18-11-7-5-10(6-8-11)9-16-17-14(19)12-3-1-2-4-13(12)15(17)20/h1-9,18H/b16-9+
InChIKeyUFAPHVMNWBAQAP-CXUHLZMHSA-N
XLogP2.02
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(4-methoxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 6861406
2-{[(E)-(4-hydroxyphenyl)methylidene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CID 135446713
(6E)-6-[[(1,3-dihydroxyisoindol-2-yl)amino]methylidene]cyclohex-4-ene-1,2,3-trione
CID 135676063
2-[(3,4-dihydroxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 135401392
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135448416
2-(4-Hydroxybenzyl)isoindole-1,3-dione
CID 4388265
N-(5-Bromosalicylideneamino)-phthalimide
CID 135448417
2-[(E)-(4-hydroxyphenyl)methyleneamino]-1,2-benzothiazol-3-one
CID 135409953
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135540889
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 135540890
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135540895
1H-Isoindole-1,3(2H)-dione, 2-(((3-methoxyphenyl)methylene)amino)-
CID 6898976

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (CID 135452548) is 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C/c1ccc(O)cc1.
What is the InChIKey of 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is UFAPHVMNWBAQAP-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-11-7-5-10(6-8-11)9-16-17-14(19)12-3-1-2-4-13(12)15(17)20/h1-9,18H/b16-9+.
What are the key properties of 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 266.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135452548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).