3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol

C11H14NO2- — CID 88547477

IUPAC3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol
SMILES[O-]N1CC(CCCO)c2ccccc21
InChIInChI=1S/C11H14NO2/c13-7-3-4-9-8-12(14)11-6-2-1-5-10(9)11/h1-2,5-6,9,13H,3-4,7-8H2/q-1
InChIKeyOBESPZAHTZHWHO-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.86
Rot. Bonds3

About 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol

3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol (PubChem CID 88547477) has the molecular formula C11H14NO2- and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol
PubChem CID88547477
Molecular FormulaC11H14NO2-
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol
SMILES[O-]N1CC(CCCO)c2ccccc21
InChIInChI=1S/C11H14NO2/c13-7-3-4-9-8-12(14)11-6-2-1-5-10(9)11/h1-2,5-6,9,13H,3-4,7-8H2/q-1
InChIKeyOBESPZAHTZHWHO-UHFFFAOYSA-N
XLogP1.86
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol?
The IUPAC name of 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol (CID 88547477) is 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol?
The canonical SMILES for 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol is [O-]N1CC(CCCO)c2ccccc21.
What is the InChIKey of 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol?
The InChIKey is OBESPZAHTZHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2/c13-7-3-4-9-8-12(14)11-6-2-1-5-10(9)11/h1-2,5-6,9,13H,3-4,7-8H2/q-1.
What are the key properties of 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol?
3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol has a molecular weight of 192.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxido-2,3-dihydroindol-3-yl)propan-1-ol is sourced from PubChem (CID 88547477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).