5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione

C15H12N2O3 — CID 46231004

IUPAC5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3
InChIKeyAQRYHSYORMJYOX-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.36
Rot. Bonds2

About 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione

5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione (PubChem CID 46231004) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione
PubChem CID46231004
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O
InChIInChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3
InChIKeyAQRYHSYORMJYOX-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione?
The IUPAC name of 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione (CID 46231004) is 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(Nc3ccc(O)cc3)cc2C1=O.
What is the InChIKey of 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione?
The InChIKey is AQRYHSYORMJYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-17-14(19)12-7-4-10(8-13(12)15(17)20)16-9-2-5-11(18)6-3-9/h2-8,16,18H,1H3.
What are the key properties of 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione?
5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione has a molecular weight of 268.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyanilino)-2-methylisoindole-1,3-dione is sourced from PubChem (CID 46231004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).