(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane

C4H7NO — CID 55300004

IUPAC(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane
SMILESC1OC[C@H]2N[C@@H]12
InChIInChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+
InChIKeyNGXORXSKEIVRPY-ZXZARUISSA-N
MW85.11 g/mol
LogP-0.64
Rot. Bonds

About (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane

(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane (PubChem CID 55300004) has the molecular formula C4H7NO and a molecular weight of 85.11 g/mol. Its IUPAC name is (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane
PubChem CID55300004
Molecular FormulaC4H7NO
Molecular Weight85.11 g/mol
Exact Mass85.05
IUPAC Name(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane
SMILESC1OC[C@H]2N[C@@H]12
InChIInChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+
InChIKeyNGXORXSKEIVRPY-ZXZARUISSA-N
XLogP-0.64
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.11
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane (CID 55300004) is (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane is C1OC[C@H]2N[C@@H]12.
What is the InChIKey of (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane?
The InChIKey is NGXORXSKEIVRPY-ZXZARUISSA-N. The full InChI is InChI=1S/C4H7NO/c1-3-4(5-3)2-6-1/h3-5H,1-2H2/t3-,4+.
What are the key properties of (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane?
(1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane has a molecular weight of 85.11 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-oxa-6-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 55300004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).