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

C9H10ClNO2 — CID 154857232

IUPAC5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
SMILESCl.NCc1ccc2c(c1)COC2=O
InChIInChI=1S/C9H9NO2.ClH/c10-4-6-1-2-8-7(3-6)5-12-9(8)11;/h1-3H,4-5,10H2;1H
InChIKeyZCFUFEWBCRBMAM-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.24
Rot. Bonds1

About 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride

5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride (PubChem CID 154857232) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
PubChem CID154857232
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride
SMILESCl.NCc1ccc2c(c1)COC2=O
InChIInChI=1S/C9H9NO2.ClH/c10-4-6-1-2-8-7(3-6)5-12-9(8)11;/h1-3H,4-5,10H2;1H
InChIKeyZCFUFEWBCRBMAM-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 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride (CID 154857232) is 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride is Cl.NCc1ccc2c(c1)COC2=O.
What is the InChIKey of 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
The InChIKey is ZCFUFEWBCRBMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c10-4-6-1-2-8-7(3-6)5-12-9(8)11;/h1-3H,4-5,10H2;1H.
What are the key properties of 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride?
5-(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 5-(aminomethyl)-3H-2-benzofuran-1-one;hydrochloride is sourced from PubChem (CID 154857232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).