Basic information
- CAS
924848-80-6- Standard SMILES
CC1=CC(=O)C2(CCCCC2)NC1- InChIKey
UTZOPMJCRUYPCR-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- 3-Methyl-1-azaspiro[5.5]undec-3-en-5-one
- IUPAC
- 3-methyl-1-azaspiro[5.5]undec-3-en-5-one
Names & synonyms
3-methyl-1-azaspiro[5.5]undec-3-en-5-oneDTXSID401276995STK689329AKOS005602048NCGC00338269-01924848-80-6ST0848533-methyl-5-azaspiro[5.5]undec-2-en-1-oneAB01331617-02
Database identifiers
- CAS
924848-80-6- PubChem CID
- 5200370
- DTXSID
DTXSID401276995
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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