4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one

C7H11NO2 — CID 126710021

IUPAC4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one
SMILESCN1C(=O)COCC12CC2
InChIInChI=1S/C7H11NO2/c1-8-6(9)4-10-5-7(8)2-3-7/h2-5H2,1H3
InChIKeyULWBJOGDLFQFOK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds

About 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one

4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one (PubChem CID 126710021) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one.

Molecular Properties

Compound Name4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one
PubChem CID126710021
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one
SMILESCN1C(=O)COCC12CC2
InChIInChI=1S/C7H11NO2/c1-8-6(9)4-10-5-7(8)2-3-7/h2-5H2,1H3
InChIKeyULWBJOGDLFQFOK-UHFFFAOYSA-N
XLogP0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
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 ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one?
The IUPAC name of 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one (CID 126710021) is 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one.
What is the SMILES notation for 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one?
The canonical SMILES for 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one is CN1C(=O)COCC12CC2.
What is the InChIKey of 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one?
The InChIKey is ULWBJOGDLFQFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-6(9)4-10-5-7(8)2-3-7/h2-5H2,1H3.
What are the key properties of 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one?
4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one has a molecular weight of 141.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxa-4-azaspiro[2.5]octan-5-one is sourced from PubChem (CID 126710021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).