(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid

C15H12N2O2 — CID 87701741

IUPAC(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid
SMILESO=C(O)C(=C\c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15(19)14(11-12-7-3-1-4-8-12)17-16-13-9-5-2-6-10-13/h1-11H,(H,18,19)/b14-11+,17-16+
InChIKeyDLWGSXWRMOLMMX-YYFCYBIDSA-N
MW252.27 g/mol
LogP3.90
Rot. Bonds4

About (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid

(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid (PubChem CID 87701741) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid
PubChem CID87701741
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid
SMILESO=C(O)C(=C\c1ccccc1)/N=N/c1ccccc1
InChIInChI=1S/C15H12N2O2/c18-15(19)14(11-12-7-3-1-4-8-12)17-16-13-9-5-2-6-10-13/h1-11H,(H,18,19)/b14-11+,17-16+
InChIKeyDLWGSXWRMOLMMX-YYFCYBIDSA-N
XLogP3.90
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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)-3-phenyl-2-phenyldiazenylprop-2-enoic acid?
The IUPAC name of (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid (CID 87701741) is (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid?
The canonical SMILES for (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid is O=C(O)C(=C\c1ccccc1)/N=N/c1ccccc1.
What is the InChIKey of (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid?
The InChIKey is DLWGSXWRMOLMMX-YYFCYBIDSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19)14(11-12-7-3-1-4-8-12)17-16-13-9-5-2-6-10-13/h1-11H,(H,18,19)/b14-11+,17-16+.
What are the key properties of (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid?
(E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid has a molecular weight of 252.27 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-2-phenyldiazenylprop-2-enoic acid is sourced from PubChem (CID 87701741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).