(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one

C11H12N2O2 — CID 135454393

IUPAC(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one
SMILESCC(=O)C(/N=N/c1ccccc1)=C(/C)O
InChIInChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,14H,1-2H3/b11-8+,13-12+
InChIKeyAWQPZXNYDGBBOU-OWKCIBLPSA-N
MW204.23 g/mol
LogP3.15
Rot. Bonds3

About (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one

(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one (PubChem CID 135454393) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one
PubChem CID135454393
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one
SMILESCC(=O)C(/N=N/c1ccccc1)=C(/C)O
InChIInChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,14H,1-2H3/b11-8+,13-12+
InChIKeyAWQPZXNYDGBBOU-OWKCIBLPSA-N
XLogP3.15
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one?
The IUPAC name of (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one (CID 135454393) is (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one?
The canonical SMILES for (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one is CC(=O)C(/N=N/c1ccccc1)=C(/C)O.
What is the InChIKey of (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one?
The InChIKey is AWQPZXNYDGBBOU-OWKCIBLPSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(14)11(9(2)15)13-12-10-6-4-3-5-7-10/h3-7,14H,1-2H3/b11-8+,13-12+.
What are the key properties of (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one?
(E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one has a molecular weight of 204.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-3-phenyldiazenylpent-3-en-2-one is sourced from PubChem (CID 135454393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).