(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium

C17H16N3O2+ — CID 6912772

IUPAC(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
SMILESN#[N+]/C=C(\O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c18-19-13-16(21)11-12-17(22)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/p+1/b16-13-
InChIKeyLAYBFXZXWBFUQG-SSZFMOIBSA-O
MW294.33 g/mol
LogP4.38
Rot. Bonds5

About (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium

(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium (PubChem CID 6912772) has the molecular formula C17H16N3O2+ and a molecular weight of 294.33 g/mol. Its IUPAC name is (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium.

Molecular Properties

Compound Name(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
PubChem CID6912772
Molecular FormulaC17H16N3O2+
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium
SMILESN#[N+]/C=C(\O)CCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c18-19-13-16(21)11-12-17(22)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/p+1/b16-13-
InChIKeyLAYBFXZXWBFUQG-SSZFMOIBSA-O
XLogP4.38
TPSA68.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 54.38
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'}

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Related Compounds

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CID 11695603
3-chloro-N,N-diphenylpropanamide
CID 3331408
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
N',N'-diphenyldodecanediamide
CID 70400318
(E)-2-hydroxy-6-phenylhex-1-ene-1-diazonium
CID 11447008
4-oxo-N,N-diphenyl-4-(2-propanoylhydrazinyl)butanamide
CID 5165535
4-(2-acetylhydrazinyl)-4-oxo-N,N-diphenylbutanamide
CID 51362140
3-hydroxy-N-(4-hydroxyphenyl)-N-phenylpropanamide
CID 134339234
CID 159685847
CID 159685847
N-(2-methoxyethyl)-N',N'-diphenylbutanediamide
CID 3996534
cobalt;bis(diphenylcarbamic acid)
CID 155679078
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium?
The IUPAC name of (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium (CID 6912772) is (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium.
What is the SMILES notation for (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium?
The canonical SMILES for (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium is N#[N+]/C=C(\O)CCC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium?
The InChIKey is LAYBFXZXWBFUQG-SSZFMOIBSA-O. The full InChI is InChI=1S/C17H15N3O2/c18-19-13-16(21)11-12-17(22)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12H2/p+1/b16-13-.
What are the key properties of (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium?
(Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium has a molecular weight of 294.33 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxy-5-oxo-5-(N-phenylanilino)pent-1-ene-1-diazonium is sourced from PubChem (CID 6912772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).