3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane

C5H9NO — CID 18406070

IUPAC3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2OC2C1
InChIInChI=1S/C5H9NO/c1-6-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3
InChIKeyCFWCYAXDRVDXRI-UHFFFAOYSA-N
MW99.13 g/mol
LogP-0.30
Rot. Bonds

About 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane

3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 18406070) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID18406070
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2OC2C1
InChIInChI=1S/C5H9NO/c1-6-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3
InChIKeyCFWCYAXDRVDXRI-UHFFFAOYSA-N
XLogP-0.30
TPSA15.77 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 ≤ 5-0.30
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane (CID 18406070) is 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane is CN1CC2OC2C1.
What is the InChIKey of 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is CFWCYAXDRVDXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-6-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 99.13 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 18406070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).