3-(2-Methyl-1h-indol-3-yl)cyclohex-2-en-1-one
Basic information
- CAS
6637-14-5- Standard SMILES
Cc1[nH]c2ccccc2c1C1=CC(=O)CCC1- InChIKey
KUFZIVYRZZJGQC-UHFFFAOYSA-N- Molecular formula
- C15H15NO
- Average molar mass
- 225.28 g/mol
- Monoisotopic mass
- 225.1153641
Names & identifiers
- Preferred name
- 3-(2-Methyl-1h-indol-3-yl)cyclohex-2-en-1-one
- IUPAC
- 3-(2-methyl-1H-indol-3-yl)cyclohex-2-en-1-one
Names & synonyms
3-(2-methyl-1h-indol-3-yl)cyclohex-2-en-1-one6637-14-5DTXSID10287749RefChem:273798DTXCID50238896NSC52365NSC-52365
Database identifiers
- CAS
6637-14-5- PubChem CID
- 243122
- DTXSID
DTXSID10287749- Nikkaji
- J2.290.475B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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