1-benzyl-7,7a-dihydroindole-2,3-dione

C15H13NO2 — CID 69113577

IUPAC1-benzyl-7,7a-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)C2CC=CC=C12
InChIInChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-8,13H,9-10H2
InChIKeyLPMPJELIZSMZMT-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.85
Rot. Bonds2

About 1-benzyl-7,7a-dihydroindole-2,3-dione

1-benzyl-7,7a-dihydroindole-2,3-dione (PubChem CID 69113577) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-benzyl-7,7a-dihydroindole-2,3-dione.

Molecular Properties

Compound Name1-benzyl-7,7a-dihydroindole-2,3-dione
PubChem CID69113577
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-benzyl-7,7a-dihydroindole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccccc2)C2CC=CC=C12
InChIInChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-8,13H,9-10H2
InChIKeyLPMPJELIZSMZMT-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7,7a-dihydroindole-2,3-dione?
The IUPAC name of 1-benzyl-7,7a-dihydroindole-2,3-dione (CID 69113577) is 1-benzyl-7,7a-dihydroindole-2,3-dione.
What is the SMILES notation for 1-benzyl-7,7a-dihydroindole-2,3-dione?
The canonical SMILES for 1-benzyl-7,7a-dihydroindole-2,3-dione is O=C1C(=O)N(Cc2ccccc2)C2CC=CC=C12.
What is the InChIKey of 1-benzyl-7,7a-dihydroindole-2,3-dione?
The InChIKey is LPMPJELIZSMZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-8,13H,9-10H2.
What are the key properties of 1-benzyl-7,7a-dihydroindole-2,3-dione?
1-benzyl-7,7a-dihydroindole-2,3-dione has a molecular weight of 239.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7,7a-dihydroindole-2,3-dione is sourced from PubChem (CID 69113577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).