Basic information
- CAS
5809-86-9- Standard SMILES
CN1C(=O)NC(=O)/C(=C\c2ccc(N3CCCC3)cc2)C1=O- InChIKey
VUEGETQIWGRMPQ-JLHYYAGUSA-N- Molecular formula
- C16H17N3O3
- Average molar mass
- 299.32 g/mol
- Monoisotopic mass
- 299.12699141
Names & identifiers
- Preferred name
- (5E)-1-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
- IUPAC
- (5E)-1-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Names & synonyms
5809-86-9(5E)-1-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione1-methyl-5-[4-(1-pyrrolidinyl)benzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrioneZINC02847418DTXSID50366966BIM-0034423.P001SR-01000220697SR-01000220697-1(5E)-1-Methyl-5-{[4-(pyrrolidin-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
5809-86-9- PubChem CID
- 2201783
- DTXSID
DTXSID50366966
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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