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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyloxazetidine
CID 91439369
1,5-dimethyl-3-azabicyclo[3.1.0]hexane
CID 23049859
1,5-dimethyl-3-azabicyclo[3.2.0]heptane
CID 23049848
ethane;2,2,6,6-tetramethylpiperazine
CID 178166936
ethane;2-ethyl-2,6,6-trimethylmorpholine
CID 143725560
2,2,6-triethyl-6-methylmorpholine
CID 114494557
lithium 2,2,6,6-tetramethylpiperazin-1-ide
CID 46220878
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
9,9-dimethyl-1,4-dioxa-7-azaspiro[4.4]nonane
CID 19106856
3a,6a-dimethyl-5,6-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 58760782
2-benzyl-2,6,6-trimethylmorpholine
CID 65126692
3-aminoazetidin-3-ol
CID 123946188

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).