5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane

C5H9NO — CID 102493975

IUPAC5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane
SMILESCC12CCCN1O2
InChIInChI=1S/C5H9NO/c1-5-3-2-4-6(5)7-5/h2-4H2,1H3
InChIKeyRGBYLPODJPDUOD-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.74
Rot. Bonds

About 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane

5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane (PubChem CID 102493975) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane
PubChem CID102493975
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane
SMILESCC12CCCN1O2
InChIInChI=1S/C5H9NO/c1-5-3-2-4-6(5)7-5/h2-4H2,1H3
InChIKeyRGBYLPODJPDUOD-UHFFFAOYSA-N
XLogP0.74
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane?
The IUPAC name of 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane (CID 102493975) is 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane?
The canonical SMILES for 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane is CC12CCCN1O2.
What is the InChIKey of 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane?
The InChIKey is RGBYLPODJPDUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-5-3-2-4-6(5)7-5/h2-4H2,1H3.
What are the key properties of 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane?
5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane has a molecular weight of 99.13 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxa-1-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 102493975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).