6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane

C4H8N2O — CID 70425904

IUPAC6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane
SMILESCC1N2COCN12
InChIInChI=1S/C4H8N2O/c1-4-5-2-7-3-6(4)5/h4H,2-3H2,1H3
InChIKeyHJRFIYAKRHZMRL-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.19
Rot. Bonds

About 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane

6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane (PubChem CID 70425904) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane
PubChem CID70425904
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane
SMILESCC1N2COCN12
InChIInChI=1S/C4H8N2O/c1-4-5-2-7-3-6(4)5/h4H,2-3H2,1H3
InChIKeyHJRFIYAKRHZMRL-UHFFFAOYSA-N
XLogP-0.19
TPSA15.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-1,3,5-oxadiazinan-4-ol
CID 166765421
3,4-diethyl-1,3,4-oxadiazolidine
CID 119097706
3,4-di(propan-2-yl)-1,3,4-oxadiazolidine
CID 5325302
4-methyl-3-[(4-methyl-1,3-oxazolidin-3-yl)methyl]-1,3-oxazolidine
CID 118865764
(2S)-2,5-dimethyloxolane
CID 118613003
4-chloro-3,5-dimethylmorpholine
CID 14340350
1,2-dimethyl-6-oxaspiro[2.5]octane
CID 58482279
(6R)-6-fluoro-3-methyl-1,3-oxazocane
CID 138637089
(3R)-3,4-dimethyloxolane;ethene
CID 145261700
(2-methyloxirane);oxirane
CID 173423277
3,4-di(propan-2-yl)-1,3-oxazinane
CID 146614615
1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
CID 45087395

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane?
The IUPAC name of 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane (CID 70425904) is 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane?
The canonical SMILES for 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane is CC1N2COCN12.
What is the InChIKey of 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane?
The InChIKey is HJRFIYAKRHZMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O/c1-4-5-2-7-3-6(4)5/h4H,2-3H2,1H3.
What are the key properties of 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane?
6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane has a molecular weight of 100.12 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-oxa-1,5-diazabicyclo[3.1.0]hexane is sourced from PubChem (CID 70425904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).