2-Phenyl-5-(prop-2-en-1-yl)pyrimidin-4(3h)-one
Basic information
- CAS
6203-97-0- Standard SMILES
C=CCc1cnc(-c2ccccc2)[nH]c1=O- InChIKey
FXPLNQKXISMRHO-UHFFFAOYSA-N- Molecular formula
- C13H12N2O
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.09496301
Names & identifiers
- Preferred name
- 2-Phenyl-5-(prop-2-en-1-yl)pyrimidin-4(3h)-one
- IUPAC
- 2-phenyl-5-prop-2-enyl-1H-pyrimidin-6-one
Names & synonyms
2-phenyl-5-(prop-2-en-1-yl)pyrimidin-4(3h)-one6203-97-0DTXSID30293342RefChem:265290DTXCID00244482NSC88810NCIOpen2_0056975-allyl-2-phenylpyrimidin-4-oneNSC-88810
Database identifiers
- CAS
6203-97-0- PubChem CID
- 259158
- DTXSID
DTXSID30293342
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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