2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione

C15H9N3O5 — CID 1380918

IUPAC2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H9N3O5/c19-13-6-5-10(18(22)23)7-9(13)8-16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-8,19H
InChIKeyIRHRKRWNRHEMRG-UHFFFAOYSA-N
MW311.25 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione

2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 1380918) has the molecular formula C15H9N3O5 and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione
PubChem CID1380918
Molecular FormulaC15H9N3O5
Molecular Weight311.25 g/mol
Exact Mass311.05
IUPAC Name2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C15H9N3O5/c19-13-6-5-10(18(22)23)7-9(13)8-16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-8,19H
InChIKeyIRHRKRWNRHEMRG-UHFFFAOYSA-N
XLogP1.93
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione (CID 1380918) is 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is IRHRKRWNRHEMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O5/c19-13-6-5-10(18(22)23)7-9(13)8-16-17-14(20)11-3-1-2-4-12(11)15(17)21/h1-8,19H.
What are the key properties of 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione?
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 311.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-nitrophenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 1380918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).