Basic information
- CAS
389572-71-8- Standard SMILES
O=C(/C=C/c1ccc(Cl)cc1)N1CCCC1- InChIKey
JPBLTINKPAYBRJ-VMPITWQZSA-N- Molecular formula
- C13H14ClNO
- Average molar mass
- 235.71 g/mol
- Monoisotopic mass
- 235.0763918
Names & identifiers
- Preferred name
- 1-[3-(4-Chlorophenyl)acryloyl]pyrrolidine
- IUPAC
- (E)-3-(4-chlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
- English name
- 1-[3-(4-chlorophenyl)acryloyl]pyrrolidine
- Molecular formula
- C13H14ClNO
- Molecular weight
- 235.71
Names & synonyms
1-[3-(4-chlorophenyl)acryloyl]pyrrolidine389572-71-8(2E)-3-(4-Chlorophenyl)-1-(1-pyrrolidinyl)-2-propen-1-one(2E)-3-(4-chlorophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one(E)-3-(4-chlorophenyl)-1-pyrrolidin-1-ylprop-2-en-1-oneDTXSID601195010STK861569AKOS000523516ST45185199AG-690/11152159SR-01000310673SR-01000310673-1
Show more names
2-Propen-1-one, 3-(4-chlorophenyl)-1-(1-pyrrolidinyl)-, (2E)-
1-[(2E)-3-(4-chlorophenyl)-2-propenoyl]pyrrolidineZ31480273(2E)-3-(4-chlorophenyl)-1-pyrrolidinylprop-2-en-1-one
Database identifiers
- CAS
389572-71-8- PubChem CID
- 809697
- DTXSID
DTXSID601195010- Nikkaji
- J1.636.627G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 421.2 · 421.2±24.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- -0.92 · -0.92±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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