(Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium

C8H10N2O3 — CID 135462516

IUPAC(Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium
SMILESCOc1ccc(C/[N+]([O-])=N/O)cc1
InChIInChI=1S/C8H10N2O3/c1-13-8-4-2-7(3-5-8)6-10(12)9-11/h2-5,11H,6H2,1H3/b10-9-
InChIKeyMXJSVSCVBDGRGU-KTKRTIGZSA-N
MW182.18 g/mol
LogP1.55
Rot. Bonds3

About (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium

(Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium (PubChem CID 135462516) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium.

Molecular Properties

Compound Name(Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium
PubChem CID135462516
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name(Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium
SMILESCOc1ccc(C/[N+]([O-])=N/O)cc1
InChIInChI=1S/C8H10N2O3/c1-13-8-4-2-7(3-5-8)6-10(12)9-11/h2-5,11H,6H2,1H3/b10-9-
InChIKeyMXJSVSCVBDGRGU-KTKRTIGZSA-N
XLogP1.55
TPSA67.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium?
The IUPAC name of (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium (CID 135462516) is (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium.
What is the SMILES notation for (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium?
The canonical SMILES for (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium is COc1ccc(C/[N+]([O-])=N/O)cc1.
What is the InChIKey of (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium?
The InChIKey is MXJSVSCVBDGRGU-KTKRTIGZSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8-4-2-7(3-5-8)6-10(12)9-11/h2-5,11H,6H2,1H3/b10-9-.
What are the key properties of (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium?
(Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium has a molecular weight of 182.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxyimino-[(4-methoxyphenyl)methyl]-oxidoazanium is sourced from PubChem (CID 135462516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).