(5-Ethyl-1,3-dimethyl-1H-pyrrol-2-yl)acetic acid
Basic information
- CAS
1780785-73-0- Standard SMILES
CCc1cc(C)c(CC(=O)O)n1C- InChIKey
LWNDXBBHKKTEBP-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- (5-Ethyl-1,3-dimethyl-1H-pyrrol-2-yl)acetic acid
- IUPAC
- 2-(5-ethyl-1,3-dimethylpyrrol-2-yl)acetic acid
Names & synonyms
DTXSID401241623(5-Ethyl-1,3-dimethyl-1H-pyrrol-2-yl)acetic acid1H-Pyrrole-2-acetic acid, 5-ethyl-1,3-dimethyl-1780785-73-0
Database identifiers
- CAS
1780785-73-0- PubChem CID
- 84658016
- DTXSID
DTXSID401241623
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…