(Z)-1-(furan-2-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanone
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Basic information
- CAS
1164481-04-2- Standard SMILES
CN1/C(=C\C(=O)c2ccco2)C(C)(C)c2ccccc21- InChIKey
HNPHFBPBGCPNJL-WJDWOHSUSA-N- Molecular formula
- C17H17NO2
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.12592879
Names & identifiers
- Preferred name
- (Z)-1-(furan-2-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanone
- IUPAC
- (2Z)-1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
- English name
- 1-(2-furyl)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethanone
- Molecular formula
- C17H17NO2
- Molecular weight
- 267.32
Names & synonyms
(Z)-1-(furan-2-yl)-2-(1,3,3-trimethylindolin-2-ylidene)ethanoneHNPHFBPBGCPNJL-WJDWOHSUSA-NMLS0000557001-(2-furyl)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethanoneCHEMBL1586660HMS2471N04(2Z)-1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanoneAKOS000520059SMR000060720ST45366825ST50037833AF-399/36428003
Show more names
SR-01000316009SR-01000316009-1Z56594943F0163-00011-(2-furyl)-2-(1,3,3-trimethylindolin-2-ylidene)ethan-1-one1-(FURAN-2-YL)-2-[(2Z)-1,3,3-TRIMETHYLINDOL-2-YLIDENE]ETHANONEEthanone, 1-(2-furyl)-2-(2,3-dihydro-1,3,3-trimethyl-2-indolenylideno)-(2Z)-1-(2-Furyl)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethanone #
Database identifiers
- CAS
1164481-04-2- PubChem CID
- 1552017
- ChEMBL
CHEMBL1586660
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 33.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 365.06 · 365.060±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.732 · 0.732±0.40(predicted)
Related reactions
0 records
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Compound notes
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