3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid

C13H15NO3 — CID 84795983

IUPAC3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(N2CCc3ccccc32)CCOC1
InChIInChI=1S/C13H15NO3/c15-12(16)13(6-8-17-9-13)14-7-5-10-3-1-2-4-11(10)14/h1-4H,5-9H2,(H,15,16)
InChIKeyMURXSEZWOAYBOD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.29
Rot. Bonds2

About 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid

3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid (PubChem CID 84795983) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
PubChem CID84795983
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
SMILESO=C(O)C1(N2CCc3ccccc32)CCOC1
InChIInChI=1S/C13H15NO3/c15-12(16)13(6-8-17-9-13)14-7-5-10-3-1-2-4-11(10)14/h1-4H,5-9H2,(H,15,16)
InChIKeyMURXSEZWOAYBOD-UHFFFAOYSA-N
XLogP1.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid (CID 84795983) is 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid is O=C(O)C1(N2CCc3ccccc32)CCOC1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid?
The InChIKey is MURXSEZWOAYBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(16)13(6-8-17-9-13)14-7-5-10-3-1-2-4-11(10)14/h1-4H,5-9H2,(H,15,16).
What are the key properties of 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid?
3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 84795983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).