ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane

C7H15NO — CID 177246410

IUPACethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCC.CC12CNCC1O2
InChIInChI=1S/C5H9NO.C2H6/c1-5-3-6-2-4(5)7-5;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyPABCFPJUKVSYBX-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.77
Rot. Bonds

About ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane

ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 177246410) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Nameethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID177246410
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Nameethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane
SMILESCC.CC12CNCC1O2
InChIInChI=1S/C5H9NO.C2H6/c1-5-3-6-2-4(5)7-5;1-2/h4,6H,2-3H2,1H3;1-2H3
InChIKeyPABCFPJUKVSYBX-UHFFFAOYSA-N
XLogP0.77
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.77
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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Related Compounds

(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 130851400
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
2,2,6-trimethylmorpholine;hydrochloride
CID 172641070
2-ethyl-2,6-dimethylmorpholine
CID 65102213
1,5-dimethyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 45120452
2-methyl-2,6-di(propan-2-yl)morpholine
CID 114494649
(2R,6R)-2-(difluoromethyl)-2,6-dimethylmorpholine
CID 125424449
8,8-dimethyl-2,3,4a,5,6,7,9,9a-octahydro-[1,4]dioxino[2,3-c]azepine;ethane
CID 144812856
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
4-(4,4-dimethylpyrrolidin-3-yl)morpholine
CID 91666792
(3aR,6aR)-5-ethyl-3a-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 125451920
1,4a-dimethyl-2,4,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]oxazine
CID 19969842

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane (CID 177246410) is ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane is CC.CC12CNCC1O2.
What is the InChIKey of ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is PABCFPJUKVSYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C2H6/c1-5-3-6-2-4(5)7-5;1-2/h4,6H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane?
ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 129.20 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-6-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 177246410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).