6-methyl-1,3-dioxa-7-azaspiro[3.4]octane

C6H11NO2 — CID 169199001

IUPAC6-methyl-1,3-dioxa-7-azaspiro[3.4]octane
SMILESCC1CC2(CN1)OCO2
InChIInChI=1S/C6H11NO2/c1-5-2-6(3-7-5)8-4-9-6/h5,7H,2-4H2,1H3
InChIKeyDPHIFEBISGFTFW-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.07
Rot. Bonds

About 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane

6-methyl-1,3-dioxa-7-azaspiro[3.4]octane (PubChem CID 169199001) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name6-methyl-1,3-dioxa-7-azaspiro[3.4]octane
PubChem CID169199001
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name6-methyl-1,3-dioxa-7-azaspiro[3.4]octane
SMILESCC1CC2(CN1)OCO2
InChIInChI=1S/C6H11NO2/c1-5-2-6(3-7-5)8-4-9-6/h5,7H,2-4H2,1H3
InChIKeyDPHIFEBISGFTFW-UHFFFAOYSA-N
XLogP0.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,5,5-tetrafluoro-2-methylpiperidine
CID 157309012
(6S)-6-methyl-2-thia-7-azaspiro[3.4]octane
CID 155425689
ethane;propane;2,4,4-trimethylpyrrolidine
CID 144594134
(3S)-3-methyl-2-azaspiro[4.5]decane;hydrochloride
CID 154577147
trans-(7R,14R)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane
CID 7154578
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
(3S,5R)-3-amino-5-methylpyrrolidine-3-carboxylic acid
CID 15235153
2,3a,6,7a-tetramethyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine;ethane
CID 145242282
methyl (8R)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
CID 122607276
cobalt(3+);5,5,7,12,12,14-hexamethyl-1,4,8,11-tetrazacyclotetradecane;dihydrate
CID 10981759
1-(4-hydroxy-2,5-dimethylpiperidin-4-yl)ethanone
CID 121227478
7,9-dimethyl-1,4-dioxaspiro[4.5]decane
CID 23529851

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane?
The IUPAC name of 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane (CID 169199001) is 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane?
The canonical SMILES for 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane is CC1CC2(CN1)OCO2.
What is the InChIKey of 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane?
The InChIKey is DPHIFEBISGFTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5-2-6(3-7-5)8-4-9-6/h5,7H,2-4H2,1H3.
What are the key properties of 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane?
6-methyl-1,3-dioxa-7-azaspiro[3.4]octane has a molecular weight of 129.16 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3-dioxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 169199001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).