[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium

C10H12NO2- — CID 155936514

IUPAC[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
SMILESCCC/C=C1/C=CC=CC1=[N+]([O-])[O-]
InChIInChI=1S/C10H12NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-8H,2-3H2,1H3/q-1/b9-6-
InChIKeyUVZKXDRPMPMOCJ-TWGQIWQCSA-N
MW178.21 g/mol
LogP2.29
Rot. Bonds2

About [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium

[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium (PubChem CID 155936514) has the molecular formula C10H12NO2- and a molecular weight of 178.21 g/mol. Its IUPAC name is [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium.

Molecular Properties

Compound Name[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
PubChem CID155936514
Molecular FormulaC10H12NO2-
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
SMILESCCC/C=C1/C=CC=CC1=[N+]([O-])[O-]
InChIInChI=1S/C10H12NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-8H,2-3H2,1H3/q-1/b9-6-
InChIKeyUVZKXDRPMPMOCJ-TWGQIWQCSA-N
XLogP2.29
TPSA49.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium?
The IUPAC name of [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium (CID 155936514) is [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium.
What is the SMILES notation for [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium?
The canonical SMILES for [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium is CCC/C=C1/C=CC=CC1=[N+]([O-])[O-].
What is the InChIKey of [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium?
The InChIKey is UVZKXDRPMPMOCJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12NO2/c1-2-3-6-9-7-4-5-8-10(9)11(12)13/h4-8H,2-3H2,1H3/q-1/b9-6-.
What are the key properties of [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium?
[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium has a molecular weight of 178.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium is sourced from PubChem (CID 155936514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).