Basic information
- CAS
16899-82-4- Standard SMILES
O=C(CN1CCCC1)c1ccc(O)c(O)c1- InChIKey
KSZQAZXCZAHBPB-UHFFFAOYSA-N- Molecular formula
- C12H15NO3
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.10519334
Names & identifiers
- Preferred name
- Acetophenone, 3',4'-dihydroxy-2-(1-pyrrolidinyl)-
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanone
Names & synonyms
U 2956BRN 0176968ACETOPHENONE, 3',4'-DIHYDROXY-2-(1-PYRROLIDINYL)-3',4'-Dihydroxy-2-(1-pyrrolidinyl)acetophenone1-(3,4-Dihydroxyphenyl)-2-(1-pyrrolidinyl)ethanoneEthanone, 1-(3,4-dihydroxyphenyl)-2-(1-pyrrolidinyl)-DTXSID601686354-20-00-00184 (Beilstein Handbook Reference)RefChem:316921DTXCID2091126Ethanone, 1-(3,4-dihydroxyphenyl)-2-(1-pyrrolidinyl)-(9CI)16899-82-4
Show more names
1-(3,4-DIHYDROXYPHENYL)-2-(PYRROLIDIN-1-YL)ETHANONE1-(3,4-dihydroxyphenyl)-2-pyrrolidin-1-ylethanoneSCHEMBL6403309AKOS008964192AO-370/145220011-(3,4-Dihydroxyphenyl)-2-(pyrrolidin-1-yl)ethan-1-one
Database identifiers
- CAS
16899-82-4- PubChem CID
- 28130
- DTXSID
DTXSID60168635
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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