(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride

C5H10ClNO — CID 91647632

IUPAC(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride
SMILESCl.NC1[C@H]2COC[C@@H]12
InChIInChI=1S/C5H9NO.ClH/c6-5-3-1-7-2-4(3)5;/h3-5H,1-2,6H2;1H/t3-,4+,5?;
InChIKeyJCFIYVURKHIYFF-FLGDEJNQSA-N
MW135.59 g/mol
LogP0.01
Rot. Bonds

About (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride

(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride (PubChem CID 91647632) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride
PubChem CID91647632
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride
SMILESCl.NC1[C@H]2COC[C@@H]12
InChIInChI=1S/C5H9NO.ClH/c6-5-3-1-7-2-4(3)5;/h3-5H,1-2,6H2;1H/t3-,4+,5?;
InChIKeyJCFIYVURKHIYFF-FLGDEJNQSA-N
XLogP0.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride?
The IUPAC name of (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride (CID 91647632) is (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride.
What is the SMILES notation for (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride?
The canonical SMILES for (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride is Cl.NC1[C@H]2COC[C@@H]12.
What is the InChIKey of (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride?
The InChIKey is JCFIYVURKHIYFF-FLGDEJNQSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c6-5-3-1-7-2-4(3)5;/h3-5H,1-2,6H2;1H/t3-,4+,5?;.
What are the key properties of (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride?
(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;hydrochloride is sourced from PubChem (CID 91647632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).