Basic information
- Standard SMILES
CC(=O)NCCn1c(C)cc(C#N)c1C- InChIKey
NJQRXWBOHVYPDB-UHFFFAOYSA-N- Molecular formula
- C11H15N3O
- Average molar mass
- 205.26 g/mol
Names & identifiers
- Preferred name
- 1-(2-Acetylaminoethyl)-2,5-dimethylpyrrole-3-carbonitrile
- IUPAC
- N-[2-(3-cyano-2,5-dimethylpyrrol-1-yl)ethyl]acetamide
Names & synonyms
SCHEMBL10413741NJQRXWBOHVYPDB-UHFFFAOYSA-N1-(2-Acetylaminoethyl)-2,5-dimethylpyrrole-3-carbonitrile
Database identifiers
- PubChem CID
- 14536745
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Related reactions
1 records
Compound notes
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