2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone

C19H26N2O2 — CID 86789803

IUPAC2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
SMILESCC1N(C(=O)CN2CCc3ccccc32)CCC12CCOCC2
InChIInChI=1S/C19H26N2O2/c1-15-19(8-12-23-13-9-19)7-11-21(15)18(22)14-20-10-6-16-4-2-3-5-17(16)20/h2-5,15H,6-14H2,1H3
InChIKeyPDDRDMWLFKYXSE-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.47
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone

2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone (PubChem CID 86789803) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
PubChem CID86789803
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone
SMILESCC1N(C(=O)CN2CCc3ccccc32)CCC12CCOCC2
InChIInChI=1S/C19H26N2O2/c1-15-19(8-12-23-13-9-19)7-11-21(15)18(22)14-20-10-6-16-4-2-3-5-17(16)20/h2-5,15H,6-14H2,1H3
InChIKeyPDDRDMWLFKYXSE-UHFFFAOYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone (CID 86789803) is 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone is CC1N(C(=O)CN2CCc3ccccc32)CCC12CCOCC2.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
The InChIKey is PDDRDMWLFKYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-19(8-12-23-13-9-19)7-11-21(15)18(22)14-20-10-6-16-4-2-3-5-17(16)20/h2-5,15H,6-14H2,1H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone?
2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone has a molecular weight of 314.43 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-(1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)ethanone is sourced from PubChem (CID 86789803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).