[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride

C6H12ClNO — CID 155290616

IUPAC[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride
SMILESCl.NC[C@]12COC[C@H]1C2
InChIInChI=1S/C6H11NO.ClH/c7-3-6-1-5(6)2-8-4-6;/h5H,1-4,7H2;1H/t5-,6-;/m1./s1
InChIKeyYVFSWYNCDCOFJK-KGZKBUQUSA-N
MW149.62 g/mol
LogP0.40
Rot. Bonds1

About [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride

[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride (PubChem CID 155290616) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride
PubChem CID155290616
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride
SMILESCl.NC[C@]12COC[C@H]1C2
InChIInChI=1S/C6H11NO.ClH/c7-3-6-1-5(6)2-8-4-6;/h5H,1-4,7H2;1H/t5-,6-;/m1./s1
InChIKeyYVFSWYNCDCOFJK-KGZKBUQUSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride?
The IUPAC name of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride (CID 155290616) is [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride?
The canonical SMILES for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride is Cl.NC[C@]12COC[C@H]1C2.
What is the InChIKey of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride?
The InChIKey is YVFSWYNCDCOFJK-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-3-6-1-5(6)2-8-4-6;/h5H,1-4,7H2;1H/t5-,6-;/m1./s1.
What are the key properties of [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride?
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methanamine;hydrochloride is sourced from PubChem (CID 155290616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).