1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane

C6H11NO — CID 45120452

IUPAC1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCC12CNCC1(C)O2
InChIInChI=1S/C6H11NO/c1-5-3-7-4-6(5,2)8-5/h7H,3-4H2,1-2H3
InChIKeyUBVVBPKZGZYVRD-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.14
Rot. Bonds

About 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane

1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 45120452) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID45120452
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCC12CNCC1(C)O2
InChIInChI=1S/C6H11NO/c1-5-3-7-4-6(5,2)8-5/h7H,3-4H2,1-2H3
InChIKeyUBVVBPKZGZYVRD-UHFFFAOYSA-N
XLogP0.14
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.14
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 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane (CID 45120452) is 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane is CC12CNCC1(C)O2.
What is the InChIKey of 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is UBVVBPKZGZYVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-7-4-6(5,2)8-5/h7H,3-4H2,1-2H3.
What are the key properties of 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 113.16 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 45120452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).