Sclerominol
Basic information
- CAS
500876-24-4- Standard SMILES
O=C1C(Cc2ccccc2)=N/C(=C\c2ccccc2)C(=O)N1O- InChIKey
IXZDGSWOKFRNJQ-PTNGSMBKSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Overview
Sclerominol is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- Sclerominol
- IUPAC
- (5Z)-3-benzyl-5-benzylidene-1-hydroxypyrazine-2,6-dione
Names & synonyms
Sclerominol(5Z)-3-benzyl-5-benzylidene-1-hydroxypyrazine-2,6-dione500876-24-4RefChem:1819072,6(1H,3H)-Pyrazinedione, 1-hydroxy-5-(phenylmethyl)-3-(phenylmethylene)-, (3Z)-CHEBI:2052715-Benzyl-3-benzylidene-1-hydroxy-3H-pyrazine-2,6-dione(3Z)-5-Benzyl-3-benzylidene-1-hydroxypyrazine-2,6(1H,3H)-dioneInChI=1/C18H14N2O3/c21-17-15(11-13-7-3-1-4-8-13)19-16(18(22)20(17)23)12-14-9-5-2-6-10-14/h1-11,23H,12H2/b15-11
Database identifiers
- CAS
500876-24-4- PubChem CID
- 643741
- ChEBI
CHEBI:205271
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…