Basic information
- CAS
112677-05-1- Standard SMILES
Cc1ccc(C(=O)C=CN(C)C)o1- InChIKey
XWBWCQRTMKRLQZ-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(5-methylfuran-2-yl)prop-2-en-1-one
- IUPAC
- 3-(dimethylamino)-1-(5-methylfuran-2-yl)prop-2-en-1-one
- English name
- 3-Dimethylamino-1-(5-methyl-furan-2-yl)-propenone
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
3-(dimethylamino)-1-(5-methylfuran-2-yl)prop-2-en-1-one112677-05-1SCHEMBL9033304DTXSID00377608XWBWCQRTMKRLQZ-UHFFFAOYSA-NIZB85829AKOS017382233AB042993-(Dimethylamino)-1-(5-methyl-2-furanyl)-2-propen-1-one3-(dimethylamino)-1-(5-methyl-2-furyl)prop-2-en-1-one3-Dimethylamino-1-(5-methyl-furan-2-yl)-propenone3-(DIMETHYLAMINO)-1-(5-METHYL-2-FURYL)-2-PROPEN-1-ONE
Show more names
2-Propen-1-one, 3-(dimethylamino)-1-(5-methyl-2-furanyl)-
Database identifiers
- CAS
112677-05-1- PubChem CID
- 2767085
- DTXSID
DTXSID00377608
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Melting point
- 123 · 123-125 °C
- Boiling point
- 261.8 · 261.8±40.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- pka
- 6.42 · 6.42±0.70(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
2 records
Compound notes
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