3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride

C6H11ClN2O2 — CID 19602517

IUPAC3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride
SMILESCl.NCC1CN2C(=O)CC2O1
InChIInChI=1S/C6H10N2O2.ClH/c7-2-4-3-8-5(9)1-6(8)10-4;/h4,6H,1-3,7H2;1H
InChIKeyARNYRJMZYGQOQU-UHFFFAOYSA-N
MW178.62 g/mol
LogP-0.68
Rot. Bonds1

About 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride

3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride (PubChem CID 19602517) has the molecular formula C6H11ClN2O2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride.

Molecular Properties

Compound Name3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride
PubChem CID19602517
Molecular FormulaC6H11ClN2O2
Molecular Weight178.62 g/mol
Exact Mass178.05
IUPAC Name3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride
SMILESCl.NCC1CN2C(=O)CC2O1
InChIInChI=1S/C6H10N2O2.ClH/c7-2-4-3-8-5(9)1-6(8)10-4;/h4,6H,1-3,7H2;1H
InChIKeyARNYRJMZYGQOQU-UHFFFAOYSA-N
XLogP-0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride?
The IUPAC name of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride (CID 19602517) is 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride.
What is the SMILES notation for 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride?
The canonical SMILES for 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride is Cl.NCC1CN2C(=O)CC2O1.
What is the InChIKey of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride?
The InChIKey is ARNYRJMZYGQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2.ClH/c7-2-4-3-8-5(9)1-6(8)10-4;/h4,6H,1-3,7H2;1H.
What are the key properties of 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride?
3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride has a molecular weight of 178.62 g/mol, XLogP of -0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one;hydrochloride is sourced from PubChem (CID 19602517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).