2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium

C13H16NO3+ — CID 3408102

IUPAC2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium
SMILESC[NH+](C)CCOC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO3/c1-14(2)7-8-16-13(15)12-9-10-5-3-4-6-11(10)17-12/h3-6,9H,7-8H2,1-2H3/p+1
InChIKeySNPIYYBRBKETNK-UHFFFAOYSA-O
MW234.28 g/mol
LogP0.73
Rot. Bonds4

About 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium

2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium (PubChem CID 3408102) has the molecular formula C13H16NO3+ and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium
PubChem CID3408102
Molecular FormulaC13H16NO3+
Molecular Weight234.28 g/mol
Exact Mass234.11
IUPAC Name2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium
SMILESC[NH+](C)CCOC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO3/c1-14(2)7-8-16-13(15)12-9-10-5-3-4-6-11(10)17-12/h3-6,9H,7-8H2,1-2H3/p+1
InChIKeySNPIYYBRBKETNK-UHFFFAOYSA-O
XLogP0.73
TPSA43.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hex-5-enyl 1-benzofuran-2-carboxylate
CID 154711242
2-benzamidoethyl 1-benzofuran-2-carboxylate
CID 569920
3-(4-methylpiperazin-1-yl)propyl 1-benzofuran-2-carboxylate
CID 171343952
tert-butyl 1-benzofuran-2-carboxylate
CID 63896278
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
1-(1-benzofuran-2-yl)ethanone
CID 15435
(2-bromophenyl) 1-benzofuran-2-carboxylate
CID 17391637
4-hydroxybutan-2-yl 1-benzofuran-2-carboxylate
CID 91575458
[2-oxo-2-(4-propylphenyl)ethyl] 1-benzofuran-2-carboxylate
CID 7210520
[4-(4-methylphenyl)phenyl] 1-benzofuran-2-carboxylate
CID 19189316
CID 171632715
CID 171632715
(4-iodophenyl) 1-benzofuran-2-carboxylate
CID 1220129

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium?
The IUPAC name of 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium (CID 3408102) is 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium.
What is the SMILES notation for 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium?
The canonical SMILES for 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium is C[NH+](C)CCOC(=O)c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium?
The InChIKey is SNPIYYBRBKETNK-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15NO3/c1-14(2)7-8-16-13(15)12-9-10-5-3-4-6-11(10)17-12/h3-6,9H,7-8H2,1-2H3/p+1.
What are the key properties of 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium?
2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium has a molecular weight of 234.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-carbonyloxy)ethyl-dimethylazanium is sourced from PubChem (CID 3408102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).