2-[2-(2,5-Dimethyl-1h-pyrrol-1-yl)ethyl]pyridine
Basic information
- CAS
6312-14-7- Standard SMILES
Cc1ccc(C)n1CCc1ccccn1- InChIKey
NUBSSCCFXJJQHP-UHFFFAOYSA-N- Molecular formula
- C13H16N2
- Average molar mass
- 200.28 g/mol
- Monoisotopic mass
- 200.13134852
Names & identifiers
- Preferred name
- 2-[2-(2,5-Dimethyl-1h-pyrrol-1-yl)ethyl]pyridine
- IUPAC
- 2-[2-(2,5-dimethylpyrrol-1-yl)ethyl]pyridine
Names & synonyms
6312-14-72-[2-(2,5-dimethyl-1h-pyrrol-1-yl)ethyl]pyridine2-[2-(2,5-dimethylpyrrol-1-yl)ethyl]pyridineNSC42672DTXSID60285715NSC-42672AKOS008965868DS-012790
Database identifiers
- CAS
6312-14-7- PubChem CID
- 238341
- DTXSID
DTXSID60285715
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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