Basic information
- Standard SMILES
COc1ccc(C(=O)/C=C/N(C)C)cc1- InChIKey
FXNAUCNJLHEGGF-CMDGGOBGSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- (2E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Names & synonyms
(2E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one78090-00-3MFCD00097914(E)-3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-oneMLS0005463112-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-3-(dimethylamino)-1-(4-methoxyphenyl)-2-propen-1-oneSMR000169481(2E)-3-(dimethylamino)-1-(4-methoxyphenyl)-2-propen-1-one2-Propen-1-one, 3-(dimethylamino)-1-(4-methoxyphenyl)-, (2E)-ZINC0012622311C-002
Show more names
SCHEMBL805340CHEMBL1369292FXNAUCNJLHEGGF-CMDGGOBGSA-NHMS2415E04ALBB-015357AKOS002675849CS-0099294EN300-139002
Database identifiers
- PubChem CID
- 5397461
- ChEMBL
CHEMBL1369292- Nikkaji
- J1.158.242G、J1.471.866D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 228
Related reactions
4 records
Compound notes
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