Basic information
- Standard SMILES
CC1(C)CC(=O)N(c2ncc(C#Cc3ccccc3)cn2)C1- InChIKey
PTXNXIDKJDKOKN-UHFFFAOYSA-N- Molecular formula
- C18H17N3O
- Average molar mass
- 291.3 g/mol
Names & identifiers
- Preferred name
- 4,4-Dimethyl-1-(5-phenylethynyl-pyrimidin-2-yl)-pyrrolidin-2-one
- IUPAC
- 4,4-dimethyl-1-[5-(2-phenylethynyl)pyrimidin-2-yl]pyrrolidin-2-one
Names & synonyms
SCHEMBL2518360CHEMBL3914950PTXNXIDKJDKOKN-UHFFFAOYSA-NBDBM222824US9315498, 1154,4-dimethyl-1-(5-phenylethynyl-pyrimidin-2-yl)-pyrrolidin-2-one
Database identifiers
- PubChem CID
- 57516702
- ChEMBL
CHEMBL3914950
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 473
Related reactions
5 records
Compound notes
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