Basic information
- CAS
58074-25-2- Standard SMILES
O=C1CNC2=C1CCCC2- InChIKey
RQVZYMLDSHKDPM-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Overview
3H-Indol-3-one, 1,2,4,5,6,7-hexahydro- has been reported in Nicotiana tabacum with data available.
Names & identifiers
- Preferred name
- 3H-Indol-3-one, 1,2,4,5,6,7-hexahydro-
- IUPAC
- 1,2,4,5,6,7-hexahydroindol-3-one
Names & synonyms
58074-25-24,5,6,7-Tetrahydro-1H-indol-3(2H)-one1,2,4,5,6,7-hexahydroindol-3-one3H-Indol-3-one, 1,2,4,5,6,7-hexahydro-2,3,4,5,6,7-hexahydro-1H-indol-3-one4,5,6,7-Tetrahydro-3-indolinone1,2,4,5,6,7-Hexahydro-3H-indol-3-oneSCHEMBL14088756DTXSID30341453RQVZYMLDSHKDPM-UHFFFAOYSA-NMFCD12923748AKOS006352552
Show more names
SY3253151,2,4,5,6,7-Hexahydro-3H-indol-3-one #
Database identifiers
- CAS
58074-25-2- PubChem CID
- 573201
- DTXSID
DTXSID30341453- Nikkaji
- J526.380H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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