6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride

C9H10ClNO2 — CID 167718187

IUPAC6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
SMILESCl.NCc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C9H9NO2.ClH/c10-4-6-1-2-7-5-12-9(11)8(7)3-6;/h1-3H,4-5,10H2;1H
InChIKeyQIKQAKOQLBMEHB-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.24
Rot. Bonds1

About 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride

6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride (PubChem CID 167718187) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
PubChem CID167718187
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
SMILESCl.NCc1ccc2c(c1)C(=O)OC2
InChIInChI=1S/C9H9NO2.ClH/c10-4-6-1-2-7-5-12-9(11)8(7)3-6;/h1-3H,4-5,10H2;1H
InChIKeyQIKQAKOQLBMEHB-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride (CID 167718187) is 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride is Cl.NCc1ccc2c(c1)C(=O)OC2.
What is the InChIKey of 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
The InChIKey is QIKQAKOQLBMEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c10-4-6-1-2-7-5-12-9(11)8(7)3-6;/h1-3H,4-5,10H2;1H.
What are the key properties of 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride is sourced from PubChem (CID 167718187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).