2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione

C15H10N2O4 — CID 681152

IUPAC2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1cccc(O)c1O
InChIInChI=1S/C15H10N2O4/c18-12-7-3-4-9(13(12)19)8-16-17-14(20)10-5-1-2-6-11(10)15(17)21/h1-8,18-19H
InChIKeyRCRWAHFZMFASKL-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.73
Rot. Bonds2

About 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 681152) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID681152
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1cccc(O)c1O
InChIInChI=1S/C15H10N2O4/c18-12-7-3-4-9(13(12)19)8-16-17-14(20)10-5-1-2-6-11(10)15(17)21/h1-8,18-19H
InChIKeyRCRWAHFZMFASKL-UHFFFAOYSA-N
XLogP1.73
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione (CID 681152) is 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N=Cc1cccc(O)c1O.
What is the InChIKey of 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is RCRWAHFZMFASKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-12-7-3-4-9(13(12)19)8-16-17-14(20)10-5-1-2-6-11(10)15(17)21/h1-8,18-19H.
What are the key properties of 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 282.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 681152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).