5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione

C16H11NO2 — CID 42628986

IUPAC5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O
InChIInChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
InChIKeyKJZBRZRRHIURGP-VOTSOKGWSA-N
MW249.27 g/mol
LogP2.99
Rot. Bonds2

About 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione

5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione (PubChem CID 42628986) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione
PubChem CID42628986
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O
InChIInChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+
InChIKeyKJZBRZRRHIURGP-VOTSOKGWSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione?
The IUPAC name of 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione (CID 42628986) is 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione is O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione?
The InChIKey is KJZBRZRRHIURGP-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H11NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-10H,(H,17,18,19)/b7-6+.
What are the key properties of 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione?
5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione has a molecular weight of 249.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-1H-indole-2,3-dione is sourced from PubChem (CID 42628986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).