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

C8H9ClN2O2 — CID 122164517

IUPAC6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
SMILESCl.NCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C8H8N2O2.ClH/c9-4-5-1-2-6-7(3-5)12-8(11)10-6;/h1-3H,4,9H2,(H,10,11);1H
InChIKeyFNPPJZGNLUOHOP-UHFFFAOYSA-N
MW200.62 g/mol
LogP1.00
Rot. Bonds1

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

6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride (PubChem CID 122164517) has the molecular formula C8H9ClN2O2 and a molecular weight of 200.62 g/mol. Its IUPAC name is 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
PubChem CID122164517
Molecular FormulaC8H9ClN2O2
Molecular Weight200.62 g/mol
Exact Mass200.04
IUPAC Name6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride
SMILESCl.NCc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C8H8N2O2.ClH/c9-4-5-1-2-6-7(3-5)12-8(11)10-6;/h1-3H,4,9H2,(H,10,11);1H
InChIKeyFNPPJZGNLUOHOP-UHFFFAOYSA-N
XLogP1.00
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride (CID 122164517) is 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride is Cl.NCc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
The InChIKey is FNPPJZGNLUOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2.ClH/c9-4-5-1-2-6-7(3-5)12-8(11)10-6;/h1-3H,4,9H2,(H,10,11);1H.
What are the key properties of 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride?
6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride has a molecular weight of 200.62 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3H-1,3-benzoxazol-2-one;hydrochloride is sourced from PubChem (CID 122164517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).