2,3-dihydroindol-1-yl(oxolan-2-yl)methanone

C13H15NO2 — CID 651377

IUPAC2,3-dihydroindol-1-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCc2ccccc21
InChIInChI=1S/C13H15NO2/c15-13(12-6-3-9-16-12)14-8-7-10-4-1-2-5-11(10)14/h1-2,4-5,12H,3,6-9H2
InChIKeyCOFQUHDEHCWPGJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.75
Rot. Bonds1

About 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone

2,3-dihydroindol-1-yl(oxolan-2-yl)methanone (PubChem CID 651377) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl(oxolan-2-yl)methanone
PubChem CID651377
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2,3-dihydroindol-1-yl(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCc2ccccc21
InChIInChI=1S/C13H15NO2/c15-13(12-6-3-9-16-12)14-8-7-10-4-1-2-5-11(10)14/h1-2,4-5,12H,3,6-9H2
InChIKeyCOFQUHDEHCWPGJ-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone (CID 651377) is 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone?
The InChIKey is COFQUHDEHCWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(12-6-3-9-16-12)14-8-7-10-4-1-2-5-11(10)14/h1-2,4-5,12H,3,6-9H2.
What are the key properties of 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone?
2,3-dihydroindol-1-yl(oxolan-2-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl(oxolan-2-yl)methanone is sourced from PubChem (CID 651377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).