Basic information
- CAS
50332-39-3- Standard SMILES
O=C(CC1CCCC1)C1CCCCc2[nH]c3cc4c(cc3c21)OCO4- InChIKey
QCQAYUUUWYDVPZ-UHFFFAOYSA-N- Molecular formula
- C21H25NO3
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.18344366
Names & identifiers
- Preferred name
- Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(cyclopentylacetyl)-
- IUPAC
- 2-cyclopentyl-1-(13,15-dioxa-9-azatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),10,12(16)-tetraen-3-yl)ethanone
Names & synonyms
BRN 10256295-(Cyclopentylacetyl)-5,6,7,8,9,10-hexahydrocyclohepta(b)-1,3-dioxolo(4,5-f)indole50332-39-3Cyclohepta(b)-1,3-dioxolo(4,5-f)indole, 5,6,7,8,9,10-hexahydro-5-(cyclopentylacetyl)-RefChem:335039DTXSID909646222-Cyclopentyl-1-(5,6,7,8,9,10-hexahydro-2H-cyclohepta[b][1,3]dioxolo[4,5-f]indol-10-yl)ethan-1-one
Database identifiers
- CAS
50332-39-3- PubChem CID
- 39641
- DTXSID
DTXSID90964622
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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