Basic information
- Standard SMILES
C=CCOC(=O)c1cccn1NCCC(C)(C)C- InChIKey
VMHCLXIVBJEWON-UHFFFAOYSA-N- Molecular formula
- C14H22N2O2
- Average molar mass
- 250.34 g/mol
- Monoisotopic mass
- 250.16812795
Names & identifiers
- Preferred name
- 1-(3,3-dimethyl-butylamino)-1H-pyrrole-2-carboxylic acid allyl ester
- IUPAC
- prop-2-enyl 1-(3,3-dimethylbutylamino)pyrrole-2-carboxylate
Names & synonyms
SCHEMBL3761976VMHCLXIVBJEWON-UHFFFAOYSA-N1-(3,3-dimethyl-butylamino)-1H-pyrrole-2-carboxylic acid allyl ester
Database identifiers
- PubChem CID
- 59853573
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
10 records
Compound notes
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