2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione

C15H11NO3 — CID 154194633

IUPAC2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione
SMILES[H]/N=C1\C=CC=C2C(=O)C(c3ccccc3O)C(=O)C21
InChIInChI=1S/C15H11NO3/c16-10-6-3-5-9-12(10)15(19)13(14(9)18)8-4-1-2-7-11(8)17/h1-7,12-13,16-17H/b16-10+
InChIKeyPJVIBYLBHBNINW-MHWRWJLKSA-N
MW253.26 g/mol
LogP1.76
Rot. Bonds1

About 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione

2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione (PubChem CID 154194633) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione
PubChem CID154194633
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione
SMILES[H]/N=C1\C=CC=C2C(=O)C(c3ccccc3O)C(=O)C21
InChIInChI=1S/C15H11NO3/c16-10-6-3-5-9-12(10)15(19)13(14(9)18)8-4-1-2-7-11(8)17/h1-7,12-13,16-17H/b16-10+
InChIKeyPJVIBYLBHBNINW-MHWRWJLKSA-N
XLogP1.76
TPSA78.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione?
The IUPAC name of 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione (CID 154194633) is 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione?
The canonical SMILES for 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione is [H]/N=C1\C=CC=C2C(=O)C(c3ccccc3O)C(=O)C21.
What is the InChIKey of 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione?
The InChIKey is PJVIBYLBHBNINW-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H11NO3/c16-10-6-3-5-9-12(10)15(19)13(14(9)18)8-4-1-2-7-11(8)17/h1-7,12-13,16-17H/b16-10+.
What are the key properties of 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione?
2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione has a molecular weight of 253.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4-imino-3aH-indene-1,3-dione is sourced from PubChem (CID 154194633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).