6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one

C20H19NO3 — CID 3344374

IUPAC6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one
SMILESO=C1CCCC(C2CN(C(=O)c3ccccc3)c3ccccc32)O1
InChIInChI=1S/C20H19NO3/c22-19-12-6-11-18(24-19)16-13-21(17-10-5-4-9-15(16)17)20(23)14-7-2-1-3-8-14/h1-5,7-10,16,18H,6,11-13H2
InChIKeyGSHICMGYNOGEON-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.53
Rot. Bonds2

About 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one

6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one (PubChem CID 3344374) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one.

Molecular Properties

Compound Name6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one
PubChem CID3344374
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one
SMILESO=C1CCCC(C2CN(C(=O)c3ccccc3)c3ccccc32)O1
InChIInChI=1S/C20H19NO3/c22-19-12-6-11-18(24-19)16-13-21(17-10-5-4-9-15(16)17)20(23)14-7-2-1-3-8-14/h1-5,7-10,16,18H,6,11-13H2
InChIKeyGSHICMGYNOGEON-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one?
The IUPAC name of 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one (CID 3344374) is 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one.
What is the SMILES notation for 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one?
The canonical SMILES for 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one is O=C1CCCC(C2CN(C(=O)c3ccccc3)c3ccccc32)O1.
What is the InChIKey of 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one?
The InChIKey is GSHICMGYNOGEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19-12-6-11-18(24-19)16-13-21(17-10-5-4-9-15(16)17)20(23)14-7-2-1-3-8-14/h1-5,7-10,16,18H,6,11-13H2.
What are the key properties of 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one?
6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one has a molecular weight of 321.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzoyl-2,3-dihydroindol-3-yl)oxan-2-one is sourced from PubChem (CID 3344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).