3-[6-[1-(4-Methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid
Basic information
- Standard SMILES
Cc1ccc(C(=CCN2CCCC2)c2cccc(C=CC(=O)O)n2)cc1- InChIKey
PWACSDKDOHSSQD-UHFFFAOYSA-N- Molecular formula
- C22H24N2O2
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.18377801
Names & identifiers
- Preferred name
- 3-[6-[1-(4-Methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid
- IUPAC
- 3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]prop-2-enoic acid
Names & synonyms
3-[6-[1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridin-2-yl]prop-2-enoic acid3-{6-[1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acidSCHEMBL4703DTXSID30861101XGA16556s5718DB-0148833-[6-[1-(p-tolyl)-3-pyrrolidin-1-yl-prop-1-enyl]-2-pyridyl]prop-2-enoic acid
Database identifiers
- PubChem CID
- 55756
- DTXSID
DTXSID30861101
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 514
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…