3-Ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
Basic information
- CAS
6116-76-3- Standard SMILES
CCc1c(C)[nH]c2c1C(=O)CCC2- InChIKey
RZUQNFAPFIHYCR-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 3-Ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
- IUPAC
- 3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one
- English name
- 3-ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
6116-76-33-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-one3-Ethyl-2-methyl-4,5,6,7-tetrahydroindol-4-one3-Ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)-one3-Ethyl-1,5,6,7-tetrahydro-2-methyl-4H-indol-4-one3-ethyl-2-methyl-1,5,6,7-tetrahydro-4h-indol-4-oneMFCD000056058F5GDR8N9G4H-Indol-4-one, 3-ethyl-1,5,6,7-tetrahydro-2-methyl-2-Methyl-3-ethyl-4-oxo-4,5,6,7-tetrahydroindoleNSC-1369382-Methyl-3-ethyl-4-oxo-4,5,6,7-tetrahydroindole; NSC 136938;
Show more names
EOS-60952Molindone Impurity 53-Ethyl-2-methyl-6,7-dihydro-1H-indol-4(5H)3-ETHYL-2-METHYL-1,5,6,7-TETRAHYDRO INDOLE-4-ONE
EINECS 228-084-6NSC136938Molindone Impurity CNSC 1369383-ETHYL-2-METHYL-1,5,6,7-TETRAHYDRO-INDOL-4-ONEUNII-8F5GDR8N9GSCHEMBL6907631DTXSID30210054
Database identifiers
- CAS
6116-76-3- PubChem CID
- 80204
- DTXSID
DTXSID30210054- UNII
- 8F5GDR8N9G
- EC Number
- 228-084-6
- Nikkaji
- J227.304G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 183 ℃ · 183℃
- Boiling point
- 353.8 · 353.8±31.0 °C(Predicted)
- Density
- 1.106 · 1.106
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform, Methanol (Slightly)
- pka
- 16.94 · 16.94±0.20(Predicted)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 8 F5GDR8N9G · 8F5GDR8N9G
Chemistry & industry
Applications
UsesMolindone intermediate.
Suppliers
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Related reactions
7 records
Compound notes
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