2-[(4-methoxycyclohexa-1,4-dien-1-yl)methyl]-1H-pyrrole
Basic information
- Standard SMILES
COC1=CCC(Cc2ccc[nH]2)=CC1- InChIKey
BJACHSKMIYSANL-UHFFFAOYSA-N- Molecular formula
- C12H15NO
- Average molar mass
- 189.25 g/mol
- Monoisotopic mass
- 189.1153641
Names & identifiers
- Preferred name
- 2-[(4-methoxycyclohexa-1,4-dien-1-yl)methyl]-1H-pyrrole
- IUPAC
- 2-[(4-methoxycyclohexa-1,4-dien-1-yl)methyl]-1H-pyrrole
Names & synonyms
NSC329218NSC-329218
Database identifiers
- PubChem CID
- 332409
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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