2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one

C15H12N2O5 — CID 135823110

IUPAC2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one
SMILESO=C1c2c(ccc(O)c2O)CN1/N=C/c1cccc(O)c1O
InChIInChI=1S/C15H12N2O5/c18-10-3-1-2-8(13(10)20)6-16-17-7-9-4-5-11(19)14(21)12(9)15(17)22/h1-6,18-21H,7H2/b16-6+
InChIKeyACTBHPADDNBZKH-OMCISZLKSA-N
MW300.27 g/mol
LogP1.50
Rot. Bonds2

About 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one

2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one (PubChem CID 135823110) has the molecular formula C15H12N2O5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one
PubChem CID135823110
Molecular FormulaC15H12N2O5
Molecular Weight300.27 g/mol
Exact Mass300.07
IUPAC Name2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one
SMILESO=C1c2c(ccc(O)c2O)CN1/N=C/c1cccc(O)c1O
InChIInChI=1S/C15H12N2O5/c18-10-3-1-2-8(13(10)20)6-16-17-7-9-4-5-11(19)14(21)12(9)15(17)22/h1-6,18-21H,7H2/b16-6+
InChIKeyACTBHPADDNBZKH-OMCISZLKSA-N
XLogP1.50
TPSA113.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-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-[(4-Fluorophenyl)methyl]-6,7-dihydroxy-isoindolin-1-one
CID 16733372
2-[(4-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 16733532
2-(6,7-Dihydroxy-1-oxo-isoindolin-2-yl)-5,6-dihydroxy-isoindoline-1,3-dione
CID 24773887
2-Benzyl-6,7-dihydroxy-isoindolin-1-one
CID 24773965
2-(6,7-Dihydroxy-1-oxo-isoindolin-2-yl)-4,5-dihydroxy-isoindoline-1,3-dione
CID 24774289
2-[(3-Fluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 24882340
4,5-Dihydroxy-2-[(3-iodophenyl)methyl]isoindoline-1,3-dione
CID 25196923
2-[(3,4-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196924
2-[(3,5-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196925
2-[(2,5-Difluorophenyl)methyl]-4,5-dihydroxy-isoindoline-1,3-dione
CID 25196926
2-(2,3-Difluorobenzyl)-4,5-dihydroxyisoindoline-1,3-dione
CID 25197040
2-(2,4-Difluorobenzyl)-4,5-dihydroxyisoindoline-1,3-dione
CID 25197041

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one (CID 135823110) is 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one is O=C1c2c(ccc(O)c2O)CN1/N=C/c1cccc(O)c1O.
What is the InChIKey of 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
The InChIKey is ACTBHPADDNBZKH-OMCISZLKSA-N. The full InChI is InChI=1S/C15H12N2O5/c18-10-3-1-2-8(13(10)20)6-16-17-7-9-4-5-11(19)14(21)12(9)15(17)22/h1-6,18-21H,7H2/b16-6+.
What are the key properties of 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one?
2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one has a molecular weight of 300.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-6,7-dihydroxy-3H-isoindol-1-one is sourced from PubChem (CID 135823110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).