Basic information
- CAS
21497-12-1- Standard SMILES
O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1- InChIKey
VLGUBPDISOXYSF-AATRIKPKSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- Morpholine, 4-(o-nitrocinnamoyl)-, (E)-
- IUPAC
- (E)-1-morpholin-4-yl-3-(2-nitrophenyl)prop-2-en-1-one
Names & synonyms
21497-12-1Morpholine, 4-(o-nitrocinnamoyl)-, (E)-RefChem:357833MLS001181073(E)-1-morpholin-4-yl-3-(2-nitrophenyl)prop-2-en-1-oneSMR000502271(2E)-1-(morpholin-4-yl)-3-(2-nitrophenyl)prop-2-en-1-onecid_759082CHEMBL1452200BDBM90815DTXSID701280123HMS2841C16
Show more names
STK102172AKOS0032991284-[3-(2-nitrophenyl)acryloyl]morpholineST50618712SR-01000263018SR-01000263018-1(E)-1-morpholino-3-(2-nitrophenyl)prop-2-en-1-one(2E)-1-morpholin-4-yl-3-(2-nitrophenyl)prop-2-en-1-one
Database identifiers
- CAS
21497-12-1- PubChem CID
- 759082
- DTXSID
DTXSID701280123- ChEMBL
CHEMBL1452200
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility>39.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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