2,3-dihydro-1-benzofuran-5-ylmethylazanium

C9H12NO+ — CID 6932006

IUPAC2,3-dihydro-1-benzofuran-5-ylmethylazanium
SMILES[NH3+]Cc1ccc2c(c1)CCO2
InChIInChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2/p+1
InChIKeyWQXWNTPLZFVZNX-UHFFFAOYSA-O
MW150.20 g/mol
LogP0.36
Rot. Bonds1

About 2,3-dihydro-1-benzofuran-5-ylmethylazanium

2,3-dihydro-1-benzofuran-5-ylmethylazanium (PubChem CID 6932006) has the molecular formula C9H12NO+ and a molecular weight of 150.20 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-ylmethylazanium.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-ylmethylazanium
PubChem CID6932006
Molecular FormulaC9H12NO+
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC Name2,3-dihydro-1-benzofuran-5-ylmethylazanium
SMILES[NH3+]Cc1ccc2c(c1)CCO2
InChIInChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2/p+1
InChIKeyWQXWNTPLZFVZNX-UHFFFAOYSA-O
XLogP0.36
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219
2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 10986528
5-(oxiran-2-ylmethyl)-2,3-dihydro-1-benzofuran
CID 104545326
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-ylmethylazanium?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-ylmethylazanium (CID 6932006) is 2,3-dihydro-1-benzofuran-5-ylmethylazanium.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-ylmethylazanium?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-ylmethylazanium is [NH3+]Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-ylmethylazanium?
The InChIKey is WQXWNTPLZFVZNX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11NO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6,10H2/p+1.
What are the key properties of 2,3-dihydro-1-benzofuran-5-ylmethylazanium?
2,3-dihydro-1-benzofuran-5-ylmethylazanium has a molecular weight of 150.20 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-ylmethylazanium is sourced from PubChem (CID 6932006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).