Basic information
- CAS
797051-85-5- Standard SMILES
C#CCC1(CC)C(=O)N(CO)c2ccccc21- InChIKey
OEFQAZCEFRHCPR-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 3-Ethyl-1-(hydroxymethyl)-3-prop-2-ynylindol-2-one
- IUPAC
- 3-ethyl-1-(hydroxymethyl)-3-prop-2-ynylindol-2-one
- English name
- 2H-Indol-2-one,3-ethyl-1,3-dihydro-1-(hydroxymethyl)-3-(2-propynyl)-(9CI)
- Molecular formula
- C14H15NO2
- Molecular weight
- 229.2744
Names & synonyms
797051-85-5DB-2818402H-Indol-2-one, 3-ethyl-1,3-dihydro-1-(hydroxymethyl)-3-(2-propynyl)-2H-Indol-2-one,3-ethyl-1,3-dihydro-1-(hydroxymethyl)-3-(2-propynyl)-(9CI)
Database identifiers
- CAS
797051-85-5- PubChem CID
- 45095702
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 356
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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