[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium

C18H27N2O2+ — CID 57340645

IUPAC[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium
SMILESCC[NH+](CCC(=O)N1CCc2ccccc21)CC1CCCO1
InChIInChI=1S/C18H26N2O2/c1-2-19(14-16-7-5-13-22-16)11-10-18(21)20-12-9-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3/p+1
InChIKeyLNLCLUKMQMIOCU-UHFFFAOYSA-O
MW303.43 g/mol
LogP1.05
Rot. Bonds6

About [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium

[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium (PubChem CID 57340645) has the molecular formula C18H27N2O2+ and a molecular weight of 303.43 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium
PubChem CID57340645
Molecular FormulaC18H27N2O2+
Molecular Weight303.43 g/mol
Exact Mass303.21
IUPAC Name[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium
SMILESCC[NH+](CCC(=O)N1CCc2ccccc21)CC1CCCO1
InChIInChI=1S/C18H26N2O2/c1-2-19(14-16-7-5-13-22-16)11-10-18(21)20-12-9-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3/p+1
InChIKeyLNLCLUKMQMIOCU-UHFFFAOYSA-O
XLogP1.05
TPSA33.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium?
The IUPAC name of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium (CID 57340645) is [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium.
What is the SMILES notation for [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium?
The canonical SMILES for [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium is CC[NH+](CCC(=O)N1CCc2ccccc21)CC1CCCO1.
What is the InChIKey of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium?
The InChIKey is LNLCLUKMQMIOCU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N2O2/c1-2-19(14-16-7-5-13-22-16)11-10-18(21)20-12-9-15-6-3-4-8-17(15)20/h3-4,6,8,16H,2,5,7,9-14H2,1H3/p+1.
What are the key properties of [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium?
[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium has a molecular weight of 303.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-ethyl-(oxolan-2-ylmethyl)azanium is sourced from PubChem (CID 57340645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).