3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one

C10H17NO2 — CID 22689088

IUPAC3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one
SMILESCC1CNC2(CCCCC2)C(=O)O1
InChIInChI=1S/C10H17NO2/c1-8-7-11-10(9(12)13-8)5-3-2-4-6-10/h8,11H,2-7H2,1H3
InChIKeyFHKWEKJVALONNO-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds

About 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one

3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one (PubChem CID 22689088) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one
PubChem CID22689088
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one
SMILESCC1CNC2(CCCCC2)C(=O)O1
InChIInChI=1S/C10H17NO2/c1-8-7-11-10(9(12)13-8)5-3-2-4-6-10/h8,11H,2-7H2,1H3
InChIKeyFHKWEKJVALONNO-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one?
The IUPAC name of 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one (CID 22689088) is 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one.
What is the SMILES notation for 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one?
The canonical SMILES for 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one is CC1CNC2(CCCCC2)C(=O)O1.
What is the InChIKey of 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one?
The InChIKey is FHKWEKJVALONNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-7-11-10(9(12)13-8)5-3-2-4-6-10/h8,11H,2-7H2,1H3.
What are the key properties of 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one?
3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxa-1-azaspiro[5.5]undecan-5-one is sourced from PubChem (CID 22689088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).