[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium

C16H13NO — CID 102288508

IUPAC[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
SMILES[O-][NH2+]/C=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H13NO/c18-17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H,17H2/b10-9-
InChIKeyVNORQADRELXRSJ-KTKRTIGZSA-N
MW235.29 g/mol
LogP3.02
Rot. Bonds2

About [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium

[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium (PubChem CID 102288508) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium.

Molecular Properties

Compound Name[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
PubChem CID102288508
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium
SMILES[O-][NH2+]/C=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C16H13NO/c18-17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H,17H2/b10-9-
InChIKeyVNORQADRELXRSJ-KTKRTIGZSA-N
XLogP3.02
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium?
The IUPAC name of [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium (CID 102288508) is [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium.
What is the SMILES notation for [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium?
The canonical SMILES for [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium is [O-][NH2+]/C=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium?
The InChIKey is VNORQADRELXRSJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C16H13NO/c18-17-10-9-16-14-7-3-1-5-12(14)11-13-6-2-4-8-15(13)16/h1-11H,17H2/b10-9-.
What are the key properties of [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium?
[(Z)-2-anthracen-9-ylethenyl]-oxidoazanium has a molecular weight of 235.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-anthracen-9-ylethenyl]-oxidoazanium is sourced from PubChem (CID 102288508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).