Basic information
- CAS
5398-58-3- Standard SMILES
CC(C)(C)n1cccc1- InChIKey
GJIRIQBRSTYPSF-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- 1-tert-Butylpyrrole
- IUPAC
- 1-tert-butylpyrrole
Names & synonyms
1-tert-Butylpyrrole24764-40-71-(tert-butyl)-1H-pyrrole1-tert-Butyl-1H-pyrroleN-tert-ButylpyrroleMFCD000155581H-Pyrrole, 1-(1,1-dimethylethyl)-N-t-Butylpyrrole1-t-ButylpyrroleN-(t-butyl)pyrrole1-tert-Butylpyrrole,97%1-tert-Butyl-1H-pyrrole #
Show more names
SCHEMBL278294SCHEMBL668499SCHEMBL7325040GJIRIQBRSTYPSF-UHFFFAOYSA-N1-TERT-BUTYLPYRROLE 97%NSC 4511ZAA764401-(1,1-dimethylethyl)-1H-Pyrrole
Database identifiers
- CAS
5398-58-3- PubChem CID
- 138484
- Nikkaji
- J417.288D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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