Basic information
- CAS
6716-66-1- Standard SMILES
c1ccc2c3c([nH]c2c1)C1(CCCCC1)NCC3- InChIKey
OTFRJPUPCOSKKS-UHFFFAOYSA-N- Molecular formula
- C16H20N2
- Average molar mass
- 240.34 g/mol
- Monoisotopic mass
- 240.16264865
Overview
Spiro[cyclohexane-1,1'-[1H]pyrido[3,4-b]indole], 2',3',4',9'-tetrahydro- has been reported in Nitraria komarovii with data available.
Names & identifiers
- Preferred name
- Spiro[cyclohexane-1,1'-[1H]pyrido[3,4-b]indole], 2',3',4',9'-tetrahydro-
- IUPAC
- spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]
Names & synonyms
spiro[1,2,3,4-tetrahydrobeta-carboline-1,1'-cyclohexane]Komavine6716-66-1Spiro[cyclohexane-1,1'-[1H]pyrido[3,4-b]indole], 2',3',4',9'-tetrahydro-Oprea1_447102SCHEMBL8323918CHEMBL1623924OTFRJPUPCOSKKS-UHFFFAOYSA-DTXSID10351499SBB045963STL5526662',3',4',9'-TETRAHYDROSPIRO[CYCLOHEXANE-1,1'-PYRIDO[3,4-B]INDOLE]
Show more names
AKOS000272110CCG-245808ST50808116AB00637874-07AB00637874-09AH-214/211270042,3,4,9-tetrahydrospiro[beta-carboline-1,1'-cyclohexane]InChI=1/C16H20N2/c1-4-9-16(10-5-1)15-13(8-11-17-16)12-6-2-3-7-14(12)18-15/h2-3,6-7,17-18H,1,4-5,8-11H2
Database identifiers
- CAS
6716-66-1- PubChem CID
- 701907
- DTXSID
DTXSID10351499- ChEMBL
CHEMBL1623924- Nikkaji
- J1.879.123D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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