Completing data — usually done within a minute
Basic information
- CAS
90852-27-0- Standard SMILES
COc1ccc(C(=O)C(C)CN2CCCC2)c(C)c1C.Cl- InChIKey
QZZRTYDGEHAUFP-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- AD 2239
- IUPAC
- 1-(4-methoxy-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Names & synonyms
AD 223990852-27-0AD-22391-Propanone, 1-(4-methoxy-2,3-dimethylphenyl)-2-methyl-3-(1-pyrrolidinyl)-, hydrochlorideRefChem:1096291-(2,3-Dimethyl-4-methoxyphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone HCl1-(4-methoxy-2,3-dimethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one;hydrochlorideorb1698755SCHEMBL9167747DTXSID30920121QZZRTYDGEHAUFP-UHFFFAOYSA-NAKOS040750123
Show more names
T296321-(2,3-Dimethyl-4-methoxyphenyl)-2-methyl-3-(1-pyrrolidinyl)-1-propanone hydrochloride1-(4-Methoxy-2,3-dimethylphenyl)-2-methyl-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
90852-27-0- PubChem CID
- 146238
- DTXSID
DTXSID30920121
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Related reactions
1 records
Compound notes
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