sodium (4-methoxyphenyl)methylidene-dioxidoazanium

C8H8NNaO3 — CID 53304439

IUPACsodium (4-methoxyphenyl)methylidene-dioxidoazanium
SMILESCOc1ccc(C=[N+]([O-])[O-])cc1.[Na+]
InChIInChI=1S/C8H8NO3.Na/c1-12-8-4-2-7(3-5-8)6-9(10)11;/h2-6H,1H3;/q-1;+1
InChIKeyVDQWRXHTKXRSCQ-UHFFFAOYSA-N
MW189.15 g/mol
LogP-1.87
Rot. Bonds2

About sodium (4-methoxyphenyl)methylidene-dioxidoazanium

sodium (4-methoxyphenyl)methylidene-dioxidoazanium (PubChem CID 53304439) has the molecular formula C8H8NNaO3 and a molecular weight of 189.15 g/mol. Its IUPAC name is sodium (4-methoxyphenyl)methylidene-dioxidoazanium.

Molecular Properties

Compound Namesodium (4-methoxyphenyl)methylidene-dioxidoazanium
PubChem CID53304439
Molecular FormulaC8H8NNaO3
Molecular Weight189.15 g/mol
Exact Mass189.04
IUPAC Namesodium (4-methoxyphenyl)methylidene-dioxidoazanium
SMILESCOc1ccc(C=[N+]([O-])[O-])cc1.[Na+]
InChIInChI=1S/C8H8NO3.Na/c1-12-8-4-2-7(3-5-8)6-9(10)11;/h2-6H,1H3;/q-1;+1
InChIKeyVDQWRXHTKXRSCQ-UHFFFAOYSA-N
XLogP-1.87
TPSA58.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[(E)-prop-1-enyl]methanimine oxide
CID 177471606
N-(4-cyanophenyl)-1-(4-methoxyphenyl)methanimine oxide
CID 139057561
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide
CID 3800043
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene
CID 124652695
sodium hydroxyimino-(4-methoxyphenyl)-oxidoazanium
CID 136668916
CID 135078844
CID 135078844
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616

Frequently Asked Questions

What is the IUPAC name of sodium (4-methoxyphenyl)methylidene-dioxidoazanium?
The IUPAC name of sodium (4-methoxyphenyl)methylidene-dioxidoazanium (CID 53304439) is sodium (4-methoxyphenyl)methylidene-dioxidoazanium.
What is the SMILES notation for sodium (4-methoxyphenyl)methylidene-dioxidoazanium?
The canonical SMILES for sodium (4-methoxyphenyl)methylidene-dioxidoazanium is COc1ccc(C=[N+]([O-])[O-])cc1.[Na+].
What is the InChIKey of sodium (4-methoxyphenyl)methylidene-dioxidoazanium?
The InChIKey is VDQWRXHTKXRSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO3.Na/c1-12-8-4-2-7(3-5-8)6-9(10)11;/h2-6H,1H3;/q-1;+1.
What are the key properties of sodium (4-methoxyphenyl)methylidene-dioxidoazanium?
sodium (4-methoxyphenyl)methylidene-dioxidoazanium has a molecular weight of 189.15 g/mol, XLogP of -1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-methoxyphenyl)methylidene-dioxidoazanium is sourced from PubChem (CID 53304439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).