(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride

C7H7Cl2NO — CID 89265200

IUPAC(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride
SMILESC=C/C(=C\C=C(/N)Cl)C(=O)Cl
InChIInChI=1S/C7H7Cl2NO/c1-2-5(7(9)11)3-4-6(8)10/h2-4H,1,10H2/b5-3+,6-4-
InChIKeyLMWJQEFKYVGVKE-UZNMPDEFSA-N
MW192.04 g/mol
LogP1.90
Rot. Bonds3

About (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride

(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride (PubChem CID 89265200) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride
PubChem CID89265200
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride
SMILESC=C/C(=C\C=C(/N)Cl)C(=O)Cl
InChIInChI=1S/C7H7Cl2NO/c1-2-5(7(9)11)3-4-6(8)10/h2-4H,1,10H2/b5-3+,6-4-
InChIKeyLMWJQEFKYVGVKE-UZNMPDEFSA-N
XLogP1.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride?
The IUPAC name of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride (CID 89265200) is (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride.
What is the SMILES notation for (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride?
The canonical SMILES for (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride is C=C/C(=C\C=C(/N)Cl)C(=O)Cl.
What is the InChIKey of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride?
The InChIKey is LMWJQEFKYVGVKE-UZNMPDEFSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-2-5(7(9)11)3-4-6(8)10/h2-4H,1,10H2/b5-3+,6-4-.
What are the key properties of (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride?
(2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride has a molecular weight of 192.04 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-amino-5-chloro-2-ethenylpenta-2,4-dienoyl chloride is sourced from PubChem (CID 89265200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).