2-Benzyl-1H-pyrrole
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Basic information
- CAS
33234-48-9- Standard SMILES
c1ccc(Cc2ccc[nH]2)cc1- InChIKey
YZKAGUHQYDCQOL-UHFFFAOYSA-N- Molecular formula
- C11H11N
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.08914936
Names & identifiers
- Preferred name
- 2-Benzyl-1H-pyrrole
- IUPAC
- 2-benzyl-1H-pyrrole
Names & synonyms
2-benzyl-1H-pyrrole33234-48-9DTXSID60318355RefChem:256523DTXCID002694782-benzylpyrroleNSC3292112-(phenylmethyl)-1H-pyrroleSCHEMBL1108477SCHEMBL2464276SCHEMBL4528806SCHEMBL4755335
Show more names
SCHEMBL9203875NSC-329211DS-012989
Database identifiers
- CAS
33234-48-9- PubChem CID
- 332402
- DTXSID
DTXSID60318355- Nikkaji
- J910.866A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 127
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Compound notes
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