2,3,4,7-Tetrahydro-1H-indole
Basic information
- CAS
832721-62-7- Standard SMILES
C1=CCC2=C(C1)CCN2- InChIKey
TWKWFMQOPOYPBA-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- 2,3,4,7-Tetrahydro-1H-indole
- IUPAC
- 2,3,4,7-tetrahydro-1H-indole
Names & synonyms
2,3,4,7-Tetrahydro-1H-indole832721-62-7SCHEMBL2508272SCHEMBL3822053SCHEMBL3822055SCHEMBL27758678DTXSID90608438AKOS006379663
Database identifiers
- CAS
832721-62-7- PubChem CID
- 20534005
- DTXSID
DTXSID90608438
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
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Compound notes
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