dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride

C10H16ClNO2 — CID 16682340

IUPACdimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride
SMILESC#CCOC(=O)C[N+](C)(C)CC=C.[Cl-]
InChIInChI=1S/C10H16NO2.ClH/c1-5-7-11(3,4)9-10(12)13-8-6-2;/h2,5H,1,7-9H2,3-4H3;1H/q+1;/p-1
InChIKeyUFNGJUDWMLFVFD-UHFFFAOYSA-M
MW217.70 g/mol
LogP-2.57
Rot. Bonds5

About dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride

dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride (PubChem CID 16682340) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride.

Molecular Properties

Compound Namedimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride
PubChem CID16682340
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Namedimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride
SMILESC#CCOC(=O)C[N+](C)(C)CC=C.[Cl-]
InChIInChI=1S/C10H16NO2.ClH/c1-5-7-11(3,4)9-10(12)13-8-6-2;/h2,5H,1,7-9H2,3-4H3;1H/q+1;/p-1
InChIKeyUFNGJUDWMLFVFD-UHFFFAOYSA-M
XLogP-2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 5-2.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride?
The IUPAC name of dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride (CID 16682340) is dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride.
What is the SMILES notation for dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride?
The canonical SMILES for dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride is C#CCOC(=O)C[N+](C)(C)CC=C.[Cl-].
What is the InChIKey of dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride?
The InChIKey is UFNGJUDWMLFVFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16NO2.ClH/c1-5-7-11(3,4)9-10(12)13-8-6-2;/h2,5H,1,7-9H2,3-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride?
dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride has a molecular weight of 217.70 g/mol, XLogP of -2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-oxo-2-prop-2-ynoxyethyl)-prop-2-enylazanium chloride is sourced from PubChem (CID 16682340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).