(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium

C7H8N2O3 — CID 135433724

IUPAC(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
SMILESCOc1ccc(/[N+]([O-])=N/O)cc1
InChIInChI=1S/C7H8N2O3/c1-12-7-4-2-6(3-5-7)9(11)8-10/h2-5,10H,1H3/b9-8-
InChIKeyBQFNVFIFJYCALE-HJWRWDBZSA-N
MW168.15 g/mol
LogP1.68
Rot. Bonds2

About (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium

(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium (PubChem CID 135433724) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium.

Molecular Properties

Compound Name(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
PubChem CID135433724
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
SMILESCOc1ccc(/[N+]([O-])=N/O)cc1
InChIInChI=1S/C7H8N2O3/c1-12-7-4-2-6(3-5-7)9(11)8-10/h2-5,10H,1H3/b9-8-
InChIKeyBQFNVFIFJYCALE-HJWRWDBZSA-N
XLogP1.68
TPSA67.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.68
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 136668916
[4-(hydroxymethyl)phenyl]imino-(4-methoxyphenyl)-oxidoazanium
CID 140913976
(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
CID 177430776
CID 177430776
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(4-methoxyphenyl)-methyl-oxoazanium
CID 143688246
1-[1-(4-methoxyphenyl)ethenyl]-4-nitrobenzene
CID 14961617
hydroxyimino-[[4-(4-methoxyphenyl)sulfanylphenyl]methyl]-oxidoazanium
CID 136511094
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
(Z)-hydroxyimino-[N'-[(4-methoxyphenyl)methyl]carbamimidoyl]-oxidoazanium
CID 135490639
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
(4-methoxyphenyl) N'-hydroxycarbamimidate
CID 71376980

Frequently Asked Questions

What is the IUPAC name of (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
The IUPAC name of (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium (CID 135433724) is (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium.
What is the SMILES notation for (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
The canonical SMILES for (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium is COc1ccc(/[N+]([O-])=N/O)cc1.
What is the InChIKey of (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
The InChIKey is BQFNVFIFJYCALE-HJWRWDBZSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7-4-2-6(3-5-7)9(11)8-10/h2-5,10H,1H3/b9-8-.
What are the key properties of (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium has a molecular weight of 168.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium is sourced from PubChem (CID 135433724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).