N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride

C7H9Cl2N — CID 123456499

IUPACN-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride
SMILESC=C(/C=C(\C)Cl)/N=C(\C)Cl
InChIInChI=1S/C7H9Cl2N/c1-5(8)4-6(2)10-7(3)9/h4H,2H2,1,3H3/b5-4+,10-7+
InChIKeyQLCKQBLRXSQTLX-YIORLJKJSA-N
MW178.06 g/mol
LogP3.30
Rot. Bonds2

About N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride

N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride (PubChem CID 123456499) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride.

Molecular Properties

Compound NameN-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride
PubChem CID123456499
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC NameN-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride
SMILESC=C(/C=C(\C)Cl)/N=C(\C)Cl
InChIInChI=1S/C7H9Cl2N/c1-5(8)4-6(2)10-7(3)9/h4H,2H2,1,3H3/b5-4+,10-7+
InChIKeyQLCKQBLRXSQTLX-YIORLJKJSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloropenta-1,3-dien-2-yl)propan-2-imine
CID 124003711
N-[(2Z)-penta-2,4-dien-2-yl]ethanimidoyl chloride
CID 137546544
ethane;N-[(3Z)-penta-1,3-dien-2-yl]ethanimidoyl chloride
CID 145049180
N-buta-1,3-dien-2-ylethanimidoyl chloride
CID 145174636
N-[(E)-but-2-en-2-yl]ethanimidoyl chloride
CID 166806829
N-[(1E,3Z)-1-chloropenta-1,3-dienyl]ethanimidoyl chloride
CID 173480045
N-[(3Z)-penta-1,3-dien-2-yl]ethanimidoyl chloride
CID 145049181

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride?
The IUPAC name of N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride (CID 123456499) is N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride.
What is the SMILES notation for N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride?
The canonical SMILES for N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride is C=C(/C=C(\C)Cl)/N=C(\C)Cl.
What is the InChIKey of N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride?
The InChIKey is QLCKQBLRXSQTLX-YIORLJKJSA-N. The full InChI is InChI=1S/C7H9Cl2N/c1-5(8)4-6(2)10-7(3)9/h4H,2H2,1,3H3/b5-4+,10-7+.
What are the key properties of N-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride?
N-[(3E)-4-chloropenta-1,3-dien-2-yl]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-[(3E)-4-chloropenta-1,3-dien-2-yl]ethanimidoyl chloride is sourced from PubChem (CID 123456499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).