8-Pentyl-2,4-diazabicyclo(4.2.0)oct-7-ene-3,5-dione
Basic information
- CAS
72323-52-5- Standard SMILES
CCCCCC1=CC2C(=O)NC(=O)NC12- InChIKey
VSHUBZXMMRACST-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2
- Average molar mass
- 208.26 g/mol
- Monoisotopic mass
- 208.12117776
Names & identifiers
- Preferred name
- 8-Pentyl-2,4-diazabicyclo(4.2.0)oct-7-ene-3,5-dione
- IUPAC
- 8-pentyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione
Names & synonyms
72323-52-5NSC355349NSC 3553498-Pentyl-2,4-diazabicyclo(4.2.0)oct-7-ene-3,5-dioneNSC-3553498-Pentyl-2,4-diazabicyclo[4.2.0]oct-7-ene-3,5-dione7-pentyl-3,5-diazabicyclo[4.2.0]oct-7-ene-2,4-dione4JZ2XT4JMNDTXSID909931192,4-Diazabicyclo[4.2.0]oct-7-ene-3,5-dione, 8-pentyl-8-Pentyl-2,4-diazabicyclo[4.2.0]octa-2,4,7-triene-3,5-diol
Database identifiers
- CAS
72323-52-5- PubChem CID
- 337422
- DTXSID
DTXSID90993119- UNII
- 4JZ2XT4JMN
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 323
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Compound notes
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