(2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride

C7H9Cl2N — CID 143611853

IUPAC(2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(CC=C)=C(\C)Cl
InChIInChI=1S/C7H9Cl2N/c1-3-4-6(5(2)8)7(9)10/h3,10H,1,4H2,2H3/b6-5+,10-7-
InChIKeyHIEAWJREFGKCIS-LXGGSRJLSA-N
MW178.06 g/mol
LogP3.29
Rot. Bonds3

About (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride

(2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride (PubChem CID 143611853) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride.

Molecular Properties

Compound Name(2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride
PubChem CID143611853
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name(2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride
SMILES[H]/N=C(Cl)/C(CC=C)=C(\C)Cl
InChIInChI=1S/C7H9Cl2N/c1-3-4-6(5(2)8)7(9)10/h3,10H,1,4H2,2H3/b6-5+,10-7-
InChIKeyHIEAWJREFGKCIS-LXGGSRJLSA-N
XLogP3.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Imino-6-chloro-2-methyl-2,5-cyclohexadiene
CID 129743469
(Z)-2-methylidenepent-3-enimidoyl chloride
CID 122550265
3-Chlorohex-2-enimidoyl chloride
CID 123449524
(2E)-2-ethylpenta-2,4-dienimidoyl chloride
CID 135300363
(E)-2-ethylbut-2-enimidoyl chloride
CID 166697381
(Z)-2-methylidenehex-3-enimidoyl chloride
CID 169827721

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride?
The IUPAC name of (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride (CID 143611853) is (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride.
What is the SMILES notation for (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride?
The canonical SMILES for (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride is [H]/N=C(Cl)/C(CC=C)=C(\C)Cl.
What is the InChIKey of (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride?
The InChIKey is HIEAWJREFGKCIS-LXGGSRJLSA-N. The full InChI is InChI=1S/C7H9Cl2N/c1-3-4-6(5(2)8)7(9)10/h3,10H,1,4H2,2H3/b6-5+,10-7-.
What are the key properties of (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride?
(2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride has a molecular weight of 178.06 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-chloroethylidene)pent-4-enimidoyl chloride is sourced from PubChem (CID 143611853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).