3-hydroxy-2-phenyldiazenylpent-2-enedioic acid

C11H10N2O5 — CID 152760502

IUPAC3-hydroxy-2-phenyldiazenylpent-2-enedioic acid
SMILESO=C(O)CC(O)=C(/N=N/c1ccccc1)C(=O)O
InChIInChI=1S/C11H10N2O5/c14-8(6-9(15)16)10(11(17)18)13-12-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,15,16)(H,17,18)/b10-8?,13-12+
InChIKeyQTCPLBFYTRTJPJ-VMJKLYIWSA-N
MW250.21 g/mol
LogP2.10
Rot. Bonds5

About 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid

3-hydroxy-2-phenyldiazenylpent-2-enedioic acid (PubChem CID 152760502) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid.

Molecular Properties

Compound Name3-hydroxy-2-phenyldiazenylpent-2-enedioic acid
PubChem CID152760502
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name3-hydroxy-2-phenyldiazenylpent-2-enedioic acid
SMILESO=C(O)CC(O)=C(/N=N/c1ccccc1)C(=O)O
InChIInChI=1S/C11H10N2O5/c14-8(6-9(15)16)10(11(17)18)13-12-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,15,16)(H,17,18)/b10-8?,13-12+
InChIKeyQTCPLBFYTRTJPJ-VMJKLYIWSA-N
XLogP2.10
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid?
The IUPAC name of 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid (CID 152760502) is 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid.
What is the SMILES notation for 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid?
The canonical SMILES for 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid is O=C(O)CC(O)=C(/N=N/c1ccccc1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid?
The InChIKey is QTCPLBFYTRTJPJ-VMJKLYIWSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-8(6-9(15)16)10(11(17)18)13-12-7-4-2-1-3-5-7/h1-5,14H,6H2,(H,15,16)(H,17,18)/b10-8?,13-12+.
What are the key properties of 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid?
3-hydroxy-2-phenyldiazenylpent-2-enedioic acid has a molecular weight of 250.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyldiazenylpent-2-enedioic acid is sourced from PubChem (CID 152760502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).