(E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium

C17H15N2O2+ — CID 10612621

IUPAC(E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium
SMILESN#[N+]/C(CCC(=O)c1ccccc1)=C(/O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c18-19-15(17(21)14-9-5-2-6-10-14)11-12-16(20)13-7-3-1-4-8-13/h1-10H,11-12H2/p+1/b17-15+
InChIKeyFQDQLPSTOWDJPR-BMRADRMJSA-O
MW279.32 g/mol
LogP4.43
Rot. Bonds5

About (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium

(E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium (PubChem CID 10612621) has the molecular formula C17H15N2O2+ and a molecular weight of 279.32 g/mol. Its IUPAC name is (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium.

Molecular Properties

Compound Name(E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium
PubChem CID10612621
Molecular FormulaC17H15N2O2+
Molecular Weight279.32 g/mol
Exact Mass279.11
IUPAC Name(E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium
SMILESN#[N+]/C(CCC(=O)c1ccccc1)=C(/O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c18-19-15(17(21)14-9-5-2-6-10-14)11-12-16(20)13-7-3-1-4-8-13/h1-10H,11-12H2/p+1/b17-15+
InChIKeyFQDQLPSTOWDJPR-BMRADRMJSA-O
XLogP4.43
TPSA65.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.43
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'}

Analyze (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-hydroxy-5-oxo-1-phenylhex-1-ene-2-diazonium
CID 10488894
4-oxo-4-phenylbutanoyl chloride
CID 10932389
4-oxo-4-phenylbutanethioic S-acid
CID 54460780
ethane;3-hydroxy-1-phenylpropan-1-one
CID 90864393
1,15-diphenylpentadecane-1,15-dione
CID 159981687
4-oxo-N,4-diphenylbutanamide
CID 825307
1-phenylbutan-1-one
CID 10315
4-oxo-4-phenylbutanethioyl chloride
CID 20539697
(4-oxo-4-phenylbutanoyl)azanide;bis(yttrium);dihydrate
CID 176803320
1,8-diphenyloctane-1,4,8-trione
CID 140639847
1-phenylbutan-1-one;hydrobromide
CID 139638507
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423

Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium?
The IUPAC name of (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium (CID 10612621) is (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium.
What is the SMILES notation for (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium?
The canonical SMILES for (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium is N#[N+]/C(CCC(=O)c1ccccc1)=C(/O)c1ccccc1.
What is the InChIKey of (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium?
The InChIKey is FQDQLPSTOWDJPR-BMRADRMJSA-O. The full InChI is InChI=1S/C17H14N2O2/c18-19-15(17(21)14-9-5-2-6-10-14)11-12-16(20)13-7-3-1-4-8-13/h1-10H,11-12H2/p+1/b17-15+.
What are the key properties of (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium?
(E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium has a molecular weight of 279.32 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxy-5-oxo-1,5-diphenylpent-1-ene-2-diazonium is sourced from PubChem (CID 10612621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).