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

C16H12N2O4 — CID 707909

IUPAC2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1cccc(C=NN2C(=O)c3ccccc3C2=O)c1O
InChIInChI=1S/C16H12N2O4/c1-22-13-8-4-5-10(14(13)19)9-17-18-15(20)11-6-2-3-7-12(11)16(18)21/h2-9,19H,1H3
InChIKeyHEFYGBNFIVEBCX-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.03
Rot. Bonds3

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

2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 707909) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID707909
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCOc1cccc(C=NN2C(=O)c3ccccc3C2=O)c1O
InChIInChI=1S/C16H12N2O4/c1-22-13-8-4-5-10(14(13)19)9-17-18-15(20)11-6-2-3-7-12(11)16(18)21/h2-9,19H,1H3
InChIKeyHEFYGBNFIVEBCX-UHFFFAOYSA-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_A(479)', '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-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione (CID 707909) is 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione is COc1cccc(C=NN2C(=O)c3ccccc3C2=O)c1O.
What is the InChIKey of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is HEFYGBNFIVEBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-22-13-8-4-5-10(14(13)19)9-17-18-15(20)11-6-2-3-7-12(11)16(18)21/h2-9,19H,1H3.
What are the key properties of 2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(2-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-[(2-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 707909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).