(E)-3-phenazin-2-ylprop-2-enoic acid

C15H10N2O2 — CID 18466718

IUPAC(E)-3-phenazin-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C15H10N2O2/c18-15(19)8-6-10-5-7-13-14(9-10)17-12-4-2-1-3-11(12)16-13/h1-9H,(H,18,19)/b8-6+
InChIKeyHNPVQNHSHVMFEU-SOFGYWHQSA-N
MW250.26 g/mol
LogP2.88
Rot. Bonds2

About (E)-3-phenazin-2-ylprop-2-enoic acid

(E)-3-phenazin-2-ylprop-2-enoic acid (PubChem CID 18466718) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is (E)-3-phenazin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-phenazin-2-ylprop-2-enoic acid
PubChem CID18466718
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name(E)-3-phenazin-2-ylprop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C15H10N2O2/c18-15(19)8-6-10-5-7-13-14(9-10)17-12-4-2-1-3-11(12)16-13/h1-9H,(H,18,19)/b8-6+
InChIKeyHNPVQNHSHVMFEU-SOFGYWHQSA-N
XLogP2.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenazin-2-ylprop-2-enoic acid?
The IUPAC name of (E)-3-phenazin-2-ylprop-2-enoic acid (CID 18466718) is (E)-3-phenazin-2-ylprop-2-enoic acid.
What is the SMILES notation for (E)-3-phenazin-2-ylprop-2-enoic acid?
The canonical SMILES for (E)-3-phenazin-2-ylprop-2-enoic acid is O=C(O)/C=C/c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of (E)-3-phenazin-2-ylprop-2-enoic acid?
The InChIKey is HNPVQNHSHVMFEU-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-15(19)8-6-10-5-7-13-14(9-10)17-12-4-2-1-3-11(12)16-13/h1-9H,(H,18,19)/b8-6+.
What are the key properties of (E)-3-phenazin-2-ylprop-2-enoic acid?
(E)-3-phenazin-2-ylprop-2-enoic acid has a molecular weight of 250.26 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenazin-2-ylprop-2-enoic acid is sourced from PubChem (CID 18466718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).