2-(4-ethylanilino)-2-hydroxyindene-1,3-dione

C17H15NO3 — CID 21231611

IUPAC2-(4-ethylanilino)-2-hydroxyindene-1,3-dione
SMILESCCc1ccc(NC2(O)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO3/c1-2-11-7-9-12(10-8-11)18-17(21)15(19)13-5-3-4-6-14(13)16(17)20/h3-10,18,21H,2H2,1H3
InChIKeyVHLFKQCPTSILCP-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.43
Rot. Bonds3

About 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione

2-(4-ethylanilino)-2-hydroxyindene-1,3-dione (PubChem CID 21231611) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione.

Molecular Properties

Compound Name2-(4-ethylanilino)-2-hydroxyindene-1,3-dione
PubChem CID21231611
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-(4-ethylanilino)-2-hydroxyindene-1,3-dione
SMILESCCc1ccc(NC2(O)C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C17H15NO3/c1-2-11-7-9-12(10-8-11)18-17(21)15(19)13-5-3-4-6-14(13)16(17)20/h3-10,18,21H,2H2,1H3
InChIKeyVHLFKQCPTSILCP-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione?
The IUPAC name of 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione (CID 21231611) is 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione.
What is the SMILES notation for 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione?
The canonical SMILES for 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione is CCc1ccc(NC2(O)C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione?
The InChIKey is VHLFKQCPTSILCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-11-7-9-12(10-8-11)18-17(21)15(19)13-5-3-4-6-14(13)16(17)20/h3-10,18,21H,2H2,1H3.
What are the key properties of 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione?
2-(4-ethylanilino)-2-hydroxyindene-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-2-hydroxyindene-1,3-dione is sourced from PubChem (CID 21231611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).