5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium

C11H10ClN2O2+ — CID 57366153

IUPAC5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium
SMILESN#[N+]C=C(O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-8(2-4-9)11(16)6-5-10(15)7-14-13/h1-4,7H,5-6H2/p+1
InChIKeyUZQCGLNQSWJCMM-UHFFFAOYSA-O
MW237.67 g/mol
LogP3.56
Rot. Bonds4

About 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium

5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium (PubChem CID 57366153) has the molecular formula C11H10ClN2O2+ and a molecular weight of 237.67 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium
PubChem CID57366153
Molecular FormulaC11H10ClN2O2+
Molecular Weight237.67 g/mol
Exact Mass237.04
IUPAC Name5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium
SMILESN#[N+]C=C(O)CCC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-1-8(2-4-9)11(16)6-5-10(15)7-14-13/h1-4,7H,5-6H2/p+1
InChIKeyUZQCGLNQSWJCMM-UHFFFAOYSA-O
XLogP3.56
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium?
The IUPAC name of 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium (CID 57366153) is 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium.
What is the SMILES notation for 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium?
The canonical SMILES for 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium is N#[N+]C=C(O)CCC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium?
The InChIKey is UZQCGLNQSWJCMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-3-1-8(2-4-9)11(16)6-5-10(15)7-14-13/h1-4,7H,5-6H2/p+1.
What are the key properties of 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium?
5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium has a molecular weight of 237.67 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-hydroxy-5-oxopent-1-ene-1-diazonium is sourced from PubChem (CID 57366153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).