(3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium

C16H14N2O3 — CID 10978905

IUPAC(3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium
SMILESCC(=O)c1cccc(/N=[N+](\[O-])c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H14N2O3/c1-11(19)13-5-3-7-15(9-13)17-18(21)16-8-4-6-14(10-16)12(2)20/h3-10H,1-2H3/b18-17-
InChIKeyHGNMMUMKAICTSN-ZCXUNETKSA-N
MW282.30 g/mol
LogP4.02
Rot. Bonds4

About (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium

(3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium (PubChem CID 10978905) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium
PubChem CID10978905
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium
SMILESCC(=O)c1cccc(/N=[N+](\[O-])c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H14N2O3/c1-11(19)13-5-3-7-15(9-13)17-18(21)16-8-4-6-14(10-16)12(2)20/h3-10H,1-2H3/b18-17-
InChIKeyHGNMMUMKAICTSN-ZCXUNETKSA-N
XLogP4.02
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

cycloheptane;1-(3-nitrophenyl)ethanone
CID 142103484
1-(3-nitrophenyl)ethanone;(E)-1-(3-nitrophenyl)ethylidenehydrazine
CID 172958037
(3-acetylphenyl) 3-nitrobenzoate
CID 785188
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
(4-acetyl-2-methoxyphenyl) 3-nitrobenzoate
CID 8868662
sodium 3-acetylphenolate
CID 23687390
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
[(E)-N-acetyloxy-C-(3-nitrophenyl)carbonimidoyl]imino-oxido-phenylazanium
CID 14896658
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
(E)-4-hydroxy-3-(3-nitrophenyl)pent-3-en-2-one
CID 15191174
nitromethane;1-phenylethanone
CID 91277497
2-[N-(3-acetylphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135470599

Frequently Asked Questions

What is the IUPAC name of (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium?
The IUPAC name of (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium (CID 10978905) is (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium.
What is the SMILES notation for (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium?
The canonical SMILES for (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium is CC(=O)c1cccc(/N=[N+](\[O-])c2cccc(C(C)=O)c2)c1.
What is the InChIKey of (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium?
The InChIKey is HGNMMUMKAICTSN-ZCXUNETKSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-11(19)13-5-3-7-15(9-13)17-18(21)16-8-4-6-14(10-16)12(2)20/h3-10H,1-2H3/b18-17-.
What are the key properties of (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium?
(3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium has a molecular weight of 282.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetylphenyl)-(3-acetylphenyl)imino-oxidoazanium is sourced from PubChem (CID 10978905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).