[5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium

C12H12NO2+ — CID 144686172

IUPAC[5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium
SMILESO=Cc1ccc(/C=C/C2CC2)cc1[NH+]=O
InChIInChI=1S/C12H11NO2/c14-8-11-6-5-10(7-12(11)13-15)4-3-9-1-2-9/h3-9H,1-2H2/p+1/b4-3+
InChIKeyWEYUPNFOQCETJK-ONEGZZNKSA-O
MW202.23 g/mol
LogP1.40
Rot. Bonds4

About [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium

[5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium (PubChem CID 144686172) has the molecular formula C12H12NO2+ and a molecular weight of 202.23 g/mol. Its IUPAC name is [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium.

Molecular Properties

Compound Name[5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium
PubChem CID144686172
Molecular FormulaC12H12NO2+
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name[5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium
SMILESO=Cc1ccc(/C=C/C2CC2)cc1[NH+]=O
InChIInChI=1S/C12H11NO2/c14-8-11-6-5-10(7-12(11)13-15)4-3-9-1-2-9/h3-9H,1-2H2/p+1/b4-3+
InChIKeyWEYUPNFOQCETJK-ONEGZZNKSA-O
XLogP1.40
TPSA48.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium?
The IUPAC name of [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium (CID 144686172) is [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium.
What is the SMILES notation for [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium?
The canonical SMILES for [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium is O=Cc1ccc(/C=C/C2CC2)cc1[NH+]=O.
What is the InChIKey of [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium?
The InChIKey is WEYUPNFOQCETJK-ONEGZZNKSA-O. The full InChI is InChI=1S/C12H11NO2/c14-8-11-6-5-10(7-12(11)13-15)4-3-9-1-2-9/h3-9H,1-2H2/p+1/b4-3+.
What are the key properties of [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium?
[5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium has a molecular weight of 202.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-cyclopropylethenyl]-2-formylphenyl]-oxoazanium is sourced from PubChem (CID 144686172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).