N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride

C7H9Cl2N — CID 173480045

IUPACN-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride
SMILESC/C=C\C=C(\Cl)N=C(C)Cl
InChIInChI=1S/C7H9Cl2N/c1-3-4-5-7(9)10-6(2)8/h3-5H,1-2H3/b4-3-,7-5-,10-6?
InChIKeyCODINAFXSONVLY-GESCJDIXSA-N
MW178.06 g/mol
LogP3.30
Rot. Bonds2

About N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride

N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride (PubChem CID 173480045) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride
PubChem CID173480045
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC NameN-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride
SMILESC/C=C\C=C(\Cl)N=C(C)Cl
InChIInChI=1S/C7H9Cl2N/c1-3-4-5-7(9)10-6(2)8/h3-5H,1-2H3/b4-3-,7-5-,10-6?
InChIKeyCODINAFXSONVLY-GESCJDIXSA-N
XLogP3.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride
CID 123456499
4-chloro-N-methylhexa-2,4-dienimidoyl chloride
CID 124027834
N-[(1E)-1-chlorobuta-1,3-dienyl]propan-2-imine
CID 126748852
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]methanimine
CID 131967116
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl chloride
CID 137546544
(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride
CID 145463721
(Z,1E)-N-(1-chloroethenyl)but-2-enimidoyl chloride;propane
CID 145614336
N-[(1E)-1,3-dichlorobuta-1,3-dienyl]ethanimidoyl chloride
CID 173485084
N-[(1E)-1-chlorobuta-1,3-dienyl]ethanimidoyl chloride
CID 173927659
(2Z)-N-methylpenta-2,4-dienimidoyl chloride
CID 141862005
N-[(3Z)-penta-1,3-dien-2-yl]ethanimidoyl chloride
CID 145049181

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride?
The IUPAC name of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride (CID 173480045) is N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride.
What is the SMILES notation for N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride?
The canonical SMILES for N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride is C/C=C\C=C(\Cl)N=C(C)Cl.
What is the InChIKey of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride?
The InChIKey is CODINAFXSONVLY-GESCJDIXSA-N. The full InChI is InChI=1S/C7H9Cl2N/c1-3-4-5-7(9)10-6(2)8/h3-5H,1-2H3/b4-3-,7-5-,10-6?.
What are the key properties of N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride?
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride has a molecular weight of 178.06 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride is sourced from PubChem (CID 173480045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).