5-(2-phenylethyl)-1H-indole-2,3-dione

C16H13NO2 — CID 53319928

IUPAC5-(2-phenylethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(CCc3ccccc3)cc2C1=O
InChIInChI=1S/C16H13NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,18,19)
InChIKeyFCTQZOHOVPUDAK-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.61
Rot. Bonds3

About 5-(2-phenylethyl)-1H-indole-2,3-dione

5-(2-phenylethyl)-1H-indole-2,3-dione (PubChem CID 53319928) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-(2-phenylethyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-(2-phenylethyl)-1H-indole-2,3-dione
PubChem CID53319928
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name5-(2-phenylethyl)-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(CCc3ccccc3)cc2C1=O
InChIInChI=1S/C16H13NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,18,19)
InChIKeyFCTQZOHOVPUDAK-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
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 5-(2-phenylethyl)-1H-indole-2,3-dione?
The IUPAC name of 5-(2-phenylethyl)-1H-indole-2,3-dione (CID 53319928) is 5-(2-phenylethyl)-1H-indole-2,3-dione.
What is the SMILES notation for 5-(2-phenylethyl)-1H-indole-2,3-dione?
The canonical SMILES for 5-(2-phenylethyl)-1H-indole-2,3-dione is O=C1Nc2ccc(CCc3ccccc3)cc2C1=O.
What is the InChIKey of 5-(2-phenylethyl)-1H-indole-2,3-dione?
The InChIKey is FCTQZOHOVPUDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-13-10-12(8-9-14(13)17-16(15)19)7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,17,18,19).
What are the key properties of 5-(2-phenylethyl)-1H-indole-2,3-dione?
5-(2-phenylethyl)-1H-indole-2,3-dione has a molecular weight of 251.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-1H-indole-2,3-dione is sourced from PubChem (CID 53319928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).