Basic information
- CAS
20069-07-2- Standard SMILES
c1ccc2c3c([nH]c2c1)C1CCN2CCCC2N1CC3- InChIKey
MQDDWIVNNZPOCB-UHFFFAOYSA-N- Molecular formula
- C17H21N3
- Average molar mass
- 267.37 g/mol
- Monoisotopic mass
- 267.17354768
Names & identifiers
- Preferred name
- 1,2,3,3a,5,6,11,11b,12,13-Decahydropyrrolo(2'',1'':2',3')pyrimido(1',6':1,2)pyrido(3,4-b)indole
- IUPAC
- 3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene
Names & synonyms
NSC 6089861,2,3,3a,5,6,11,11b,12,13-Decahydropyrrolo(2'',1'':2',3')pyrimido(1',6':1,2)pyrido(3,4-b)indoleNSC-608986C10590AC1L76DF3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene ; (+/-)-Elaeocarpidine
Database identifiers
- CAS
20069-07-2- PubChem CID
- 494337
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 22.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…