Basic information
- CAS
101756-28-9- Standard SMILES
CC1=COC(C)(C=C(C#N)C#N)CC1- InChIKey
LYZBGHYQNCVQIB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O
- Average molar mass
- 188.23 g/mol
- Monoisotopic mass
- 188.09496301
Names & identifiers
- Preferred name
- Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-
- IUPAC
- 2-[(2,5-dimethyl-3,4-dihydropyran-2-yl)methylidene]propanedinitrile
Names & synonyms
(3,4-Dihydro-2,5-dimethyl-2H-pyran-2-yl)methylenemalononitrile101756-28-92,5-Dimethyl-3,4-dihydro-2H-pyran-2-methylenemalononitrileMALONONITRILE, (3,4-DIHYDRO-2,5-DIMETHYL-2H-PYRAN-2-YL)METHYLENE-RefChem:351864NSC664252CHEMBL1971250DTXSID809065912-((2,5-Dimethyl-3,4-dihydro-2H-pyran-2-yl)methylene)malononitrileNSC-664252NCI60_0221272-[(2,5-dimethyl-3,4-dihydropyran-2-yl)methylene]propanedinitrile
Show more names
[(2,5-dimethyl-3,4-dihydro-2H-pyran-2-yl)methylidene]propanedinitrile
Database identifiers
- CAS
101756-28-9- PubChem CID
- 58846
- DTXSID
DTXSID80906591- ChEMBL
CHEMBL1971250- Nikkaji
- J147.626B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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