2-amino-2-phenylindene-1,3-dione

C15H11NO2 — CID 12652647

IUPAC2-amino-2-phenylindene-1,3-dione
SMILESNC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11NO2/c16-15(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)14(15)18/h1-9H,16H2
InChIKeyXLLQUFOSNVJSOH-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.92
Rot. Bonds1

About 2-amino-2-phenylindene-1,3-dione

2-amino-2-phenylindene-1,3-dione (PubChem CID 12652647) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-amino-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-amino-2-phenylindene-1,3-dione
PubChem CID12652647
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name2-amino-2-phenylindene-1,3-dione
SMILESNC1(c2ccccc2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H11NO2/c16-15(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)14(15)18/h1-9H,16H2
InChIKeyXLLQUFOSNVJSOH-UHFFFAOYSA-N
XLogP1.92
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenylindene-1,3-dione?
The IUPAC name of 2-amino-2-phenylindene-1,3-dione (CID 12652647) is 2-amino-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-amino-2-phenylindene-1,3-dione?
The canonical SMILES for 2-amino-2-phenylindene-1,3-dione is NC1(c2ccccc2)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-amino-2-phenylindene-1,3-dione?
The InChIKey is XLLQUFOSNVJSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c16-15(10-6-2-1-3-7-10)13(17)11-8-4-5-9-12(11)14(15)18/h1-9H,16H2.
What are the key properties of 2-amino-2-phenylindene-1,3-dione?
2-amino-2-phenylindene-1,3-dione has a molecular weight of 237.26 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenylindene-1,3-dione is sourced from PubChem (CID 12652647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).