(2E)-2-ethylpenta-2,4-dienimidoyl chloride

C7H10ClN — CID 135300363

IUPAC(2E)-2-ethylpenta-2,4-dienimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C/C=C)CC
InChIInChI=1S/C7H10ClN/c1-3-5-6(4-2)7(8)9/h3,5,9H,1,4H2,2H3/b6-5+,9-7-
InChIKeyBZVGZJYHWUFKDD-UQIVLYAPSA-N
MW143.62 g/mol
LogP2.72
Rot. Bonds3

About (2E)-2-ethylpenta-2,4-dienimidoyl chloride

(2E)-2-ethylpenta-2,4-dienimidoyl chloride (PubChem CID 135300363) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is (2E)-2-ethylpenta-2,4-dienimidoyl chloride.

Molecular Properties

Compound Name(2E)-2-ethylpenta-2,4-dienimidoyl chloride
PubChem CID135300363
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name(2E)-2-ethylpenta-2,4-dienimidoyl chloride
SMILES[H]/N=C(Cl)/C(=C/C=C)CC
InChIInChI=1S/C7H10ClN/c1-3-5-6(4-2)7(8)9/h3,5,9H,1,4H2,2H3/b6-5+,9-7-
InChIKeyBZVGZJYHWUFKDD-UQIVLYAPSA-N
XLogP2.72
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.72
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylpenta-2,4-dienimidoyl chloride?
The IUPAC name of (2E)-2-ethylpenta-2,4-dienimidoyl chloride (CID 135300363) is (2E)-2-ethylpenta-2,4-dienimidoyl chloride.
What is the SMILES notation for (2E)-2-ethylpenta-2,4-dienimidoyl chloride?
The canonical SMILES for (2E)-2-ethylpenta-2,4-dienimidoyl chloride is [H]/N=C(Cl)/C(=C/C=C)CC.
What is the InChIKey of (2E)-2-ethylpenta-2,4-dienimidoyl chloride?
The InChIKey is BZVGZJYHWUFKDD-UQIVLYAPSA-N. The full InChI is InChI=1S/C7H10ClN/c1-3-5-6(4-2)7(8)9/h3,5,9H,1,4H2,2H3/b6-5+,9-7-.
What are the key properties of (2E)-2-ethylpenta-2,4-dienimidoyl chloride?
(2E)-2-ethylpenta-2,4-dienimidoyl chloride has a molecular weight of 143.62 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylpenta-2,4-dienimidoyl chloride is sourced from PubChem (CID 135300363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).