Basic information
- CAS
1551-10-6- Standard SMILES
CCCCc1ccc[nH]1- InChIKey
OTZWITHPRWRMMX-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- 2-butyl-1H-pyrrole
- IUPAC
- 2-butyl-1H-pyrrole
Names & synonyms
2-butyl-1H-pyrrole1551-10-6DTXSID50335839RefChem:258007DTXCID002869282-butylpyrrole2-butyl-1H-pyrrolSCHEMBL269444SCHEMBL269445SCHEMBL1338045SCHEMBL1862871SCHEMBL1862873
Show more names
SCHEMBL1984309SCHEMBL5251473SCHEMBL6762459SCHEMBL8198192OTZWITHPRWRMMX-UHFFFAOYSA-NAKOS006347672
Database identifiers
- CAS
1551-10-6- PubChem CID
- 527554
- DTXSID
DTXSID50335839- Nikkaji
- J2.100.946F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71
Related reactions
1 records
Compound notes
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