6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one

C7H11NO2 — CID 21055565

IUPAC6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
SMILESCN1CCC2(CC1)OC2=O
InChIInChI=1S/C7H11NO2/c1-8-4-2-7(3-5-8)6(9)10-7/h2-5H2,1H3
InChIKeyFQHMMRUWZGPHGG-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds

About 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one

6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one (PubChem CID 21055565) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one.

Molecular Properties

Compound Name6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
PubChem CID21055565
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one
SMILESCN1CCC2(CC1)OC2=O
InChIInChI=1S/C7H11NO2/c1-8-4-2-7(3-5-8)6(9)10-7/h2-5H2,1H3
InChIKeyFQHMMRUWZGPHGG-UHFFFAOYSA-N
XLogP0.01
TPSA32.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one?
The IUPAC name of 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one (CID 21055565) is 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one.
What is the SMILES notation for 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one?
The canonical SMILES for 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one is CN1CCC2(CC1)OC2=O.
What is the InChIKey of 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one?
The InChIKey is FQHMMRUWZGPHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-4-2-7(3-5-8)6(9)10-7/h2-5H2,1H3.
What are the key properties of 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one?
6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one has a molecular weight of 141.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-oxa-6-azaspiro[2.5]octan-2-one is sourced from PubChem (CID 21055565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).