1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione

C17H13NO2 — CID 2057118

IUPAC1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione
SMILESO=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyOJMNUQNZECRSCJ-RMKNXTFCSA-N
MW263.30 g/mol
LogP2.93
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione

1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione (PubChem CID 2057118) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione
PubChem CID2057118
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione
SMILESO=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21
InChIInChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyOJMNUQNZECRSCJ-RMKNXTFCSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione (CID 2057118) is 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione is O=C1C(=O)N(C/C=C/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione?
The InChIKey is OJMNUQNZECRSCJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione?
1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione has a molecular weight of 263.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 2057118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).