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

C7H13NO — CID 54570911

IUPAC1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2(C)OC2(C)C1
InChIInChI=1S/C7H13NO/c1-6-4-8(3)5-7(6,2)9-6/h4-5H2,1-3H3
InChIKeyZXEPPQXHEGRDRN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

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

1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 54570911) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID54570911
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2(C)OC2(C)C1
InChIInChI=1S/C7H13NO/c1-6-4-8(3)5-7(6,2)9-6/h4-5H2,1-3H3
InChIKeyZXEPPQXHEGRDRN-UHFFFAOYSA-N
XLogP0.48
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.48
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 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane (CID 54570911) is 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane is CN1CC2(C)OC2(C)C1.
What is the InChIKey of 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is ZXEPPQXHEGRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-4-8(3)5-7(6,2)9-6/h4-5H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane?
1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 127.19 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 54570911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).