2-acetyloxyethyl(trimethyl)azanium;1H-indole

C15H23N2O2+ — CID 174311440

IUPAC2-acetyloxyethyl(trimethyl)azanium;1H-indole
SMILESCC(=O)OCC[N+](C)(C)C.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C7H16NO2/c1-2-4-8-7(3-1)5-6-9-8;1-7(9)10-6-5-8(2,3)4/h1-6,9H;5-6H2,1-4H3/q;+1
InChIKeyIPLAKUTYJNRJFG-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.42
Rot. Bonds3

About 2-acetyloxyethyl(trimethyl)azanium;1H-indole

2-acetyloxyethyl(trimethyl)azanium;1H-indole (PubChem CID 174311440) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-acetyloxyethyl(trimethyl)azanium;1H-indole.

Molecular Properties

Compound Name2-acetyloxyethyl(trimethyl)azanium;1H-indole
PubChem CID174311440
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name2-acetyloxyethyl(trimethyl)azanium;1H-indole
SMILESCC(=O)OCC[N+](C)(C)C.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C7H16NO2/c1-2-4-8-7(3-1)5-6-9-8;1-7(9)10-6-5-8(2,3)4/h1-6,9H;5-6H2,1-4H3/q;+1
InChIKeyIPLAKUTYJNRJFG-UHFFFAOYSA-N
XLogP2.42
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl(trimethyl)azanium;1H-indole?
The IUPAC name of 2-acetyloxyethyl(trimethyl)azanium;1H-indole (CID 174311440) is 2-acetyloxyethyl(trimethyl)azanium;1H-indole.
What is the SMILES notation for 2-acetyloxyethyl(trimethyl)azanium;1H-indole?
The canonical SMILES for 2-acetyloxyethyl(trimethyl)azanium;1H-indole is CC(=O)OCC[N+](C)(C)C.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-acetyloxyethyl(trimethyl)azanium;1H-indole?
The InChIKey is IPLAKUTYJNRJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C7H16NO2/c1-2-4-8-7(3-1)5-6-9-8;1-7(9)10-6-5-8(2,3)4/h1-6,9H;5-6H2,1-4H3/q;+1.
What are the key properties of 2-acetyloxyethyl(trimethyl)azanium;1H-indole?
2-acetyloxyethyl(trimethyl)azanium;1H-indole has a molecular weight of 263.36 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl(trimethyl)azanium;1H-indole is sourced from PubChem (CID 174311440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).