Basic information
- CAS
69687-78-1- Standard SMILES
CCc1cc(C)[nH]c1C- InChIKey
MSXUEMBOMBFOMG-UHFFFAOYSA-N- Molecular formula
- C8H13N
- Average molar mass
- 123.2 g/mol
- Monoisotopic mass
- 123.10479942
Names & identifiers
- Preferred name
- 1H-Pyrrole, 3-ethyl-2,5-dimethyl-
- IUPAC
- 3-ethyl-2,5-dimethyl-1H-pyrrole
- English name
- 2,5-Dimethyl-3-ethyl-1H-pyrrole
- Molecular weight
- 0
Names & synonyms
1H-Pyrrole, 3-ethyl-2,5-dimethyl-3-Ethyl-2,5-dimethyl-1H-pyrrole69687-78-12,5-dimethyl-3-ethylpyrroleSCHEMBL2315045DTXSID10334929MSXUEMBOMBFOMG-UHFFFAOYSA-N3-Ethyl-2,5-dimethyl-1H-pyrrole #2,5-Dimethyl-3-ethyl-1H-pyrrole
Database identifiers
- CAS
69687-78-1- PubChem CID
- 522355
- DTXSID
DTXSID10334929- Nikkaji
- J121.876J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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