2-methyl-5-oxa-2-azaspiro[3.4]octane

C7H13NO — CID 58683603

IUPAC2-methyl-5-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(CCCO2)C1
InChIInChI=1S/C7H13NO/c1-8-5-7(6-8)3-2-4-9-7/h2-6H2,1H3
InChIKeyZNXPOVIXPSBKSA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.48
Rot. Bonds

About 2-methyl-5-oxa-2-azaspiro[3.4]octane

2-methyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 58683603) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-methyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID58683603
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-5-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(CCCO2)C1
InChIInChI=1S/C7H13NO/c1-8-5-7(6-8)3-2-4-9-7/h2-6H2,1H3
InChIKeyZNXPOVIXPSBKSA-UHFFFAOYSA-N
XLogP0.48
TPSA12.47 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

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Related Compounds

5-Oxa-2-azaspiro[3.4]octane hydrochloride
CID 86280355
7-Methyl-5-oxa-2-azaspiro[3.4]octane hydrochloride
CID 165945895
5-Oxa-2-azaspiro[3.4]octane
CID 55279768
(8R)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 166567470
(8S)-2-tert-butyl-8-fluoro-5-oxa-2-azaspiro[3.4]octane
CID 166567483
(8S)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 167292236
(8R)-8-fluoro-2-propan-2-yl-5-oxa-2-azaspiro[3.4]octane
CID 167292238
7,7-Difluoro-2-methyl-5-oxa-2-azaspiro[3.4]octane
CID 172360134
7-Fluoro-2,7-dimethyl-5-oxa-2-azaspiro[3.4]octane
CID 172583131
2-Butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane
CID 176923228
2-Butyl-7,7-difluoro-5-oxa-2-azaspiro[3.4]octane;ethane
CID 176924994
2-(3-Fluoropropyl)-5-oxa-2-azaspiro[3.4]octane
CID 176925394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 2-methyl-5-oxa-2-azaspiro[3.4]octane (CID 58683603) is 2-methyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 2-methyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 2-methyl-5-oxa-2-azaspiro[3.4]octane is CN1CC2(CCCO2)C1.
What is the InChIKey of 2-methyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is ZNXPOVIXPSBKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-7(6-8)3-2-4-9-7/h2-6H2,1H3.
What are the key properties of 2-methyl-5-oxa-2-azaspiro[3.4]octane?
2-methyl-5-oxa-2-azaspiro[3.4]octane 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 2-methyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 58683603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).