Basic information
- CAS
1228-27-9- Standard SMILES
O=C(CCCN1CCC2(CCCCC2)CC1)c1cccs1- InChIKey
ZPERBBJJOARZRB-UHFFFAOYSA-N- Molecular formula
- C18H27NOS
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.18133566
Names & identifiers
- Preferred name
- 1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-
- IUPAC
- 4-(3-azaspiro[5.5]undecan-3-yl)-1-thiophen-2-ylbutan-1-one
Names & synonyms
BRN 13479571-BUTANONE, 4-(3-AZASPIRO(5.5)UNDEC-3-YL)-1-(2-THIENYL)-1228-27-94-(3-Azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-1-butanoneDTXSID801537205-20-04-00423 (Beilstein Handbook Reference)RefChem:228924DTXCID4076211AKOS0128750454-(3-Azaspiro[5.5]undecan-3-yl)-1-(thiophen-2-yl)butan-1-one
Database identifiers
- CAS
1228-27-9- PubChem CID
- 14673
- DTXSID
DTXSID80153720- Nikkaji
- J65.726C
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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