(Z)-4-imino-5-oxopent-2-enimidoyl chloride

C5H5ClN2O — CID 177319622

IUPAC(Z)-4-imino-5-oxopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(C=O)=N\[H]
InChIInChI=1S/C5H5ClN2O/c6-5(8)2-1-4(7)3-9/h1-3,7-8H/b2-1-,7-4-,8-5-
InChIKeyVIAYARAGWTZXQQ-ULNQUADPSA-N
MW144.56 g/mol
LogP0.98
Rot. Bonds3

About (Z)-4-imino-5-oxopent-2-enimidoyl chloride

(Z)-4-imino-5-oxopent-2-enimidoyl chloride (PubChem CID 177319622) has the molecular formula C5H5ClN2O and a molecular weight of 144.56 g/mol. Its IUPAC name is (Z)-4-imino-5-oxopent-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-imino-5-oxopent-2-enimidoyl chloride
PubChem CID177319622
Molecular FormulaC5H5ClN2O
Molecular Weight144.56 g/mol
Exact Mass144.01
IUPAC Name(Z)-4-imino-5-oxopent-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(C=O)=N\[H]
InChIInChI=1S/C5H5ClN2O/c6-5(8)2-1-4(7)3-9/h1-3,7-8H/b2-1-,7-4-,8-5-
InChIKeyVIAYARAGWTZXQQ-ULNQUADPSA-N
XLogP0.98
TPSA64.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.56
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-5-oxopent-2-enimidoyl chloride?
The IUPAC name of (Z)-4-imino-5-oxopent-2-enimidoyl chloride (CID 177319622) is (Z)-4-imino-5-oxopent-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-imino-5-oxopent-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-imino-5-oxopent-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(C=O)=N\[H].
What is the InChIKey of (Z)-4-imino-5-oxopent-2-enimidoyl chloride?
The InChIKey is VIAYARAGWTZXQQ-ULNQUADPSA-N. The full InChI is InChI=1S/C5H5ClN2O/c6-5(8)2-1-4(7)3-9/h1-3,7-8H/b2-1-,7-4-,8-5-.
What are the key properties of (Z)-4-imino-5-oxopent-2-enimidoyl chloride?
(Z)-4-imino-5-oxopent-2-enimidoyl chloride has a molecular weight of 144.56 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-5-oxopent-2-enimidoyl chloride is sourced from PubChem (CID 177319622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).