Indol-4(5H)-one, 6,7-dihydro-2,3-dimethyl-
Basic information
- CAS
6116-75-2- Standard SMILES
Cc1[nH]c2c(c1C)C(=O)CCC2- InChIKey
UORPHFZBCZEBJV-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- Indol-4(5H)-one, 6,7-dihydro-2,3-dimethyl-
- IUPAC
- 2,3-dimethyl-1,5,6,7-tetrahydroindol-4-one
Names & synonyms
6116-75-2INDOL-4(5H)-ONE, 6,7-DIHYDRO-2,3-DIMETHYL-BRN 04721146,7-Dihydro-2,3-dimethyl-indol-4(5H)-oneDTXSID702100535-21-07-00455 (Beilstein Handbook Reference)RefChem:349118DTXCID701325442,3-Dimethyl-1,5,6,7-tetrahydro-4H-indol-4-one2,3-dimethyl-1,5,6,7-tetrahydroindol-4-oneSCHEMBL934852UORPHFZBCZEBJV-UHFFFAOYSA-N
Show more names
MFCD01718332AKOS000320294ST0962882,3-dimethyl-5,6,7-trihydroindol-4-oneH832462,3-dimethyl-6,7-dihydro-1H-indole-4(5H)-on
Database identifiers
- CAS
6116-75-2- PubChem CID
- 22495
- DTXSID
DTXSID70210053
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Related reactions
0 records
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Compound notes
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