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Basic information
- Standard SMILES
Cc1cc(C=CC#N)cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1- InChIKey
YRJBMJPBXYHHHR-UHFFFAOYSA-N- Molecular formula
- C17H17N3O3
- Average molar mass
- 311.33 g/mol
- Monoisotopic mass
- 311.12699141
Names & identifiers
- Preferred name
- 3-[3-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yloxy)-5-methyl-phenyl]-acrylonitrile
- IUPAC
- 3-[3-[(2,4-dioxo-5-propan-2-yl-1H-pyrimidin-6-yl)oxy]-5-methylphenyl]prop-2-enenitrile
Names & synonyms
SCHEMBL501288YRJBMJPBXYHHHR-UHFFFAOYSA-N3-[3-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yloxy)-5-methyl-phenyl]-acrylonitrile
Database identifiers
- PubChem CID
- 66705331
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 597
Related reactions
6 records
Compound notes
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