dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
Basic information
- CAS
81239-29-4- Standard SMILES
COC(=O)/C=C(\C(=O)OC)C1=C(N2CCCC2)CC(C)(C)CC1=O- InChIKey
QEVMPNQWHLLUCC-XFXZXTDPSA-N- Molecular formula
- C18H25NO5
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.1732729
Names & identifiers
- Preferred name
- dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
- IUPAC
- dimethyl (Z)-2-(4,4-dimethyl-6-oxo-2-pyrrolidin-1-ylcyclohexen-1-yl)but-2-enedioate
Names & synonyms
NSC35513681239-29-4DTXSID60421499NSC-355136Dimethyl (2Z)-2-[4,4-dimethyl-6-oxo-2-(pyrrolidin-1-yl)cyclohex-1-en-1-yl]but-2-enedioate
Database identifiers
- CAS
81239-29-4- PubChem CID
- 5960808
- DTXSID
DTXSID60421499
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 609
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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