Basic information
- CAS
109829-32-5- Standard SMILES
CCOCCOC(=O)/C(C#N)=C(/CC)NCc1ccc(Cl)cc1- InChIKey
KFNHCDYMEWIMFM-NXVVXOECSA-N- Molecular formula
- C17H21ClN2O3
- Average molar mass
- 336.8 g/mol
- Monoisotopic mass
- 336.1240702
Names & identifiers
- Preferred name
- 2-Pentenoic acid, 3-(((4-chlorophenyl)methyl)amino)-2-cyano-, 2-ethoxyethyl ester, (Z)-
- IUPAC
- 2-ethoxyethyl (Z)-3-[(4-chlorophenyl)methylamino]-2-cyanopent-2-enoate
Names & synonyms
2-Pentenoic acid, 3-(((4-chlorophenyl)methyl)amino)-2-cyano-, 2-ethoxyethyl ester, (Z)-109829-32-5
Database identifiers
- CAS
109829-32-5- PubChem CID
- 3037460
- Nikkaji
- J385.101J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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