sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium

C7H8N2NaO3+ — CID 136668916

IUPACsodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
SMILESCOc1ccc([N+]([O-])=NO)cc1.[Na+]
InChIInChI=1S/C7H8N2O3.Na/c1-12-7-4-2-6(3-5-7)9(11)8-10;/h2-5,10H,1H3;/q;+1
InChIKeyGFPLAWSASINCTL-UHFFFAOYSA-N
MW191.14 g/mol
LogP-1.32
Rot. Bonds2

About sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium

sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium (PubChem CID 136668916) has the molecular formula C7H8N2NaO3+ and a molecular weight of 191.14 g/mol. Its IUPAC name is sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium.

Molecular Properties

Compound Namesodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
PubChem CID136668916
Molecular FormulaC7H8N2NaO3+
Molecular Weight191.14 g/mol
Exact Mass191.04
IUPAC Namesodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
SMILESCOc1ccc([N+]([O-])=NO)cc1.[Na+]
InChIInChI=1S/C7H8N2O3.Na/c1-12-7-4-2-6(3-5-7)9(11)8-10;/h2-5,10H,1H3;/q;+1
InChIKeyGFPLAWSASINCTL-UHFFFAOYSA-N
XLogP-1.32
TPSA67.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 5-1.32
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

(Z)-hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 135433724
[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
sodium (4-methoxyphenyl)methylidene-dioxidoazanium
CID 53304439
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

Frequently Asked Questions

What is the IUPAC name of sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
The IUPAC name of sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium (CID 136668916) is sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium.
What is the SMILES notation for sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
The canonical SMILES for sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium is COc1ccc([N+]([O-])=NO)cc1.[Na+].
What is the InChIKey of sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
The InChIKey is GFPLAWSASINCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3.Na/c1-12-7-4-2-6(3-5-7)9(11)8-10;/h2-5,10H,1H3;/q;+1.
What are the key properties of sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium?
sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium has a molecular weight of 191.14 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium is sourced from PubChem (CID 136668916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).