Methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylate
Basic information
- CAS
34971-13-6- Standard SMILES
COC(=O)c1cc(C#N)n2ccc3ccccc3c12- InChIKey
DSLMBIIXDMCCHG-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Names & identifiers
- Preferred name
- Methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylate
- IUPAC
- methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylate
Names & synonyms
34971-13-6methyl 3-cyanopyrrolo[2,1-a]isoquinoline-1-carboxylateNSC292577DTXSID90315155NSC-292577
Database identifiers
- CAS
34971-13-6- PubChem CID
- 325048
- DTXSID
DTXSID90315155
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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