ethenyl-formyl-dimethylazanium

C5H10NO+ — CID 19872355

IUPACethenyl-formyl-dimethylazanium
SMILESC=C[N+](C)(C)C=O
InChIInChI=1S/C5H10NO/c1-4-6(2,3)5-7/h4-5H,1H2,2-3H3/q+1
InChIKeyFRWIIPSQKFXTQB-UHFFFAOYSA-N
MW100.14 g/mol
LogP0.36
Rot. Bonds2

About ethenyl-formyl-dimethylazanium

ethenyl-formyl-dimethylazanium (PubChem CID 19872355) has the molecular formula C5H10NO+ and a molecular weight of 100.14 g/mol. Its IUPAC name is ethenyl-formyl-dimethylazanium.

Molecular Properties

Compound Nameethenyl-formyl-dimethylazanium
PubChem CID19872355
Molecular FormulaC5H10NO+
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Nameethenyl-formyl-dimethylazanium
SMILESC=C[N+](C)(C)C=O
InChIInChI=1S/C5H10NO/c1-4-6(2,3)5-7/h4-5H,1H2,2-3H3/q+1
InChIKeyFRWIIPSQKFXTQB-UHFFFAOYSA-N
XLogP0.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethenyl-formyl-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethenyl-formyl-dimethylazanium?
The IUPAC name of ethenyl-formyl-dimethylazanium (CID 19872355) is ethenyl-formyl-dimethylazanium.
What is the SMILES notation for ethenyl-formyl-dimethylazanium?
The canonical SMILES for ethenyl-formyl-dimethylazanium is C=C[N+](C)(C)C=O.
What is the InChIKey of ethenyl-formyl-dimethylazanium?
The InChIKey is FRWIIPSQKFXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO/c1-4-6(2,3)5-7/h4-5H,1H2,2-3H3/q+1.
What are the key properties of ethenyl-formyl-dimethylazanium?
ethenyl-formyl-dimethylazanium has a molecular weight of 100.14 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-formyl-dimethylazanium is sourced from PubChem (CID 19872355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).