4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole

C12H15NO2 — CID 115074368

IUPAC4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OCC3COC3)c1)CCN2
InChIInChI=1S/C12H15NO2/c1-2-11-10(4-5-13-11)12(3-1)15-8-9-6-14-7-9/h1-3,9,13H,4-8H2
InChIKeyXMINHRRFZKXYCC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds3

About 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole

4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole (PubChem CID 115074368) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
PubChem CID115074368
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
SMILESc1cc2c(c(OCC3COC3)c1)CCN2
InChIInChI=1S/C12H15NO2/c1-2-11-10(4-5-13-11)12(3-1)15-8-9-6-14-7-9/h1-3,9,13H,4-8H2
InChIKeyXMINHRRFZKXYCC-UHFFFAOYSA-N
XLogP1.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole (CID 115074368) is 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole is c1cc2c(c(OCC3COC3)c1)CCN2.
What is the InChIKey of 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
The InChIKey is XMINHRRFZKXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-11-10(4-5-13-11)12(3-1)15-8-9-6-14-7-9/h1-3,9,13H,4-8H2.
What are the key properties of 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole?
4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole has a molecular weight of 205.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).