Basic information
- CAS
38906-62-6- Standard SMILES
COc1cccc(C2(CC(C)=O)CCN(C)C2)c1- InChIKey
CBOVODIWWDUBNQ-UHFFFAOYSA-N- Molecular formula
- C15H21NO2
- Average molar mass
- 247.33 g/mol
- Monoisotopic mass
- 247.15722891
Names & identifiers
- Preferred name
- Pyrrolidine, 3-acetonyl-3-(m-methoxyphenyl)-1-methyl-
- IUPAC
- 1-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propan-2-one
- English name
- 1-[3-(3-Methoxyphenyl)-1-methyl-3-pyrrolidinyl]-2-propanone
- Molecular weight
- 0
Names & synonyms
38906-62-6BRN 14758543-Acetonyl-3-(m-methoxyphenyl)-1-methylpyrrolidinePyrrolidine, 3-acetonyl-3-(m-methoxyphenyl)-1-methyl-RefChem:3780881-[3-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]propan-2-oneDTXSID009596801-[3-(3-Methoxyphenyl)-1-methyl-3-pyrrolidinyl]-2-propanone
Database identifiers
- CAS
38906-62-6- PubChem CID
- 217423
- DTXSID
DTXSID00959680- Nikkaji
- J51.432B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…