3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride

C6H12ClNO — CID 119031187

IUPAC3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride
SMILESCl.NCC1C2COCC12
InChIInChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H
InChIKeyKSIVBRSOHYOUPY-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.26
Rot. Bonds1

About 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride

3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride (PubChem CID 119031187) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride
PubChem CID119031187
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride
SMILESCl.NCC1C2COCC12
InChIInChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H
InChIKeyKSIVBRSOHYOUPY-UHFFFAOYSA-N
XLogP0.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride?
The IUPAC name of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride (CID 119031187) is 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride.
What is the SMILES notation for 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride?
The canonical SMILES for 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride is Cl.NCC1C2COCC12.
What is the InChIKey of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride?
The InChIKey is KSIVBRSOHYOUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-1-4-5-2-8-3-6(4)5;/h4-6H,1-3,7H2;1H.
What are the key properties of 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride?
3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.1.0]hexan-6-ylmethanamine;hydrochloride is sourced from PubChem (CID 119031187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).