6-(aminomethyl)morpholin-3-one;hydrochloride

C5H11ClN2O2 — CID 22612261

IUPAC6-(aminomethyl)morpholin-3-one;hydrochloride
SMILESCl.NCC1CNC(=O)CO1
InChIInChI=1S/C5H10N2O2.ClH/c6-1-4-2-7-5(8)3-9-4;/h4H,1-3,6H2,(H,7,8);1H
InChIKeyZVGJFNSJTCZGQS-UHFFFAOYSA-N
MW166.61 g/mol
LogP-1.12
Rot. Bonds1

About 6-(aminomethyl)morpholin-3-one;hydrochloride

6-(aminomethyl)morpholin-3-one;hydrochloride (PubChem CID 22612261) has the molecular formula C5H11ClN2O2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 6-(aminomethyl)morpholin-3-one;hydrochloride.

Molecular Properties

Compound Name6-(aminomethyl)morpholin-3-one;hydrochloride
PubChem CID22612261
Molecular FormulaC5H11ClN2O2
Molecular Weight166.61 g/mol
Exact Mass166.05
IUPAC Name6-(aminomethyl)morpholin-3-one;hydrochloride
SMILESCl.NCC1CNC(=O)CO1
InChIInChI=1S/C5H10N2O2.ClH/c6-1-4-2-7-5(8)3-9-4;/h4H,1-3,6H2,(H,7,8);1H
InChIKeyZVGJFNSJTCZGQS-UHFFFAOYSA-N
XLogP-1.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)morpholin-3-one;hydrochloride?
The IUPAC name of 6-(aminomethyl)morpholin-3-one;hydrochloride (CID 22612261) is 6-(aminomethyl)morpholin-3-one;hydrochloride.
What is the SMILES notation for 6-(aminomethyl)morpholin-3-one;hydrochloride?
The canonical SMILES for 6-(aminomethyl)morpholin-3-one;hydrochloride is Cl.NCC1CNC(=O)CO1.
What is the InChIKey of 6-(aminomethyl)morpholin-3-one;hydrochloride?
The InChIKey is ZVGJFNSJTCZGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.ClH/c6-1-4-2-7-5(8)3-9-4;/h4H,1-3,6H2,(H,7,8);1H.
What are the key properties of 6-(aminomethyl)morpholin-3-one;hydrochloride?
6-(aminomethyl)morpholin-3-one;hydrochloride has a molecular weight of 166.61 g/mol, XLogP of -1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)morpholin-3-one;hydrochloride is sourced from PubChem (CID 22612261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).