2,3-Dimethylindole-1-propanenitrile
Basic information
- CAS
26019-47-6- Standard SMILES
Cc1c(C)n(CCC#N)c2ccccc12- InChIKey
IUOGDYFHVOLNEQ-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- 2,3-Dimethylindole-1-propanenitrile
- IUPAC
- 3-(2,3-dimethylindol-1-yl)propanenitrile
- English name
- 2,3-Dimethylindole-1-propanenitrile
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
26019-47-62,3-Dimethylindole-1-propanenitrileDTXSID00400304RefChem:245077DTXCID003511603-(2,3-dimethyl-1H-indol-1-yl)propanenitrile3-(2,3-dimethylindol-1-yl)propanenitrileMLS000700103SMR000224753CHEMBL1477339SCHEMBL21431750BDBM45573
Show more names
2,3-DIMETHYL-1H-INDOLE-1-PROPANENITRILE1H-Indole-1-propanenitrile, 2,3-dimethyl-
cid_4175802HMS2534H03AKOS0062736913-(2,3-dimethylindol-1-yl)propionitrile3-(2,3-dimethyl-1-indolyl)propanenitrileAE-496/11121006
Database identifiers
- CAS
26019-47-6- PubChem CID
- 4175802
- DTXSID
DTXSID00400304- ChEMBL
CHEMBL1477339
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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