Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
Basic information
- CAS
3509-02-2- Standard SMILES
C=CCC(C#N)(CC=C)C(=O)OCC- InChIKey
HWUFVRPDOFXNCU-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Names & identifiers
- Preferred name
- Ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
- IUPAC
- ethyl 2-cyano-2-prop-2-enylpent-4-enoate
Names & synonyms
ethyl 2-cyano-2-(prop-2-en-1-yl)pent-4-enoate3509-02-2DTXSID80310614RefChem:342746DTXCID50261740ethyl 2-cyano-2-prop-2-enylpent-4-enoateNSC229352SCHEMBL7515108ethyl 2-allyl-2-cyano-pent-4-enoateNSC-229352CS-0232012EN300-126109
Show more names
ethyl2-cyano-2-(prop-2-en-1-yl)pent-4-enoate
Database identifiers
- CAS
3509-02-2- PubChem CID
- 313704
- DTXSID
DTXSID80310614- EC Number
- 190-572-9
- Nikkaji
- J907.981E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 262
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Related reactions
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Compound notes
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