7-methyl-5-oxa-7-azaspiro[3.4]octane

C7H13NO — CID 155425983

IUPAC7-methyl-5-oxa-7-azaspiro[3.4]octane
SMILESCN1COC2(CCC2)C1
InChIInChI=1S/C7H13NO/c1-8-5-7(9-6-8)3-2-4-7/h2-6H2,1H3
InChIKeyWKNDFRZJJUZWCT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.83
Rot. Bonds

About 7-methyl-5-oxa-7-azaspiro[3.4]octane

7-methyl-5-oxa-7-azaspiro[3.4]octane (PubChem CID 155425983) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 7-methyl-5-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-methyl-5-oxa-7-azaspiro[3.4]octane
PubChem CID155425983
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name7-methyl-5-oxa-7-azaspiro[3.4]octane
SMILESCN1COC2(CCC2)C1
InChIInChI=1S/C7H13NO/c1-8-5-7(9-6-8)3-2-4-7/h2-6H2,1H3
InChIKeyWKNDFRZJJUZWCT-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 7-methyl-5-oxa-7-azaspiro[3.4]octane (CID 155425983) is 7-methyl-5-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 7-methyl-5-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 7-methyl-5-oxa-7-azaspiro[3.4]octane is CN1COC2(CCC2)C1.
What is the InChIKey of 7-methyl-5-oxa-7-azaspiro[3.4]octane?
The InChIKey is WKNDFRZJJUZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-5-7(9-6-8)3-2-4-7/h2-6H2,1H3.
What are the key properties of 7-methyl-5-oxa-7-azaspiro[3.4]octane?
7-methyl-5-oxa-7-azaspiro[3.4]octane has a molecular weight of 127.19 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 155425983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).