2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride

C10H23ClN2O — CID 22325939

IUPAC2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16N.C4H7NO.ClH/c1-5-6-7(2,3)4;1-3(2)4(5)6;/h5-6H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1
InChIKeyWEAQXVDSAUMZHI-UHFFFAOYSA-M
MW222.76 g/mol
LogP-1.85
Rot. Bonds3

About 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride

2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride (PubChem CID 22325939) has the molecular formula C10H23ClN2O and a molecular weight of 222.76 g/mol. Its IUPAC name is 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride.

Molecular Properties

Compound Name2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride
PubChem CID22325939
Molecular FormulaC10H23ClN2O
Molecular Weight222.76 g/mol
Exact Mass222.15
IUPAC Name2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride
SMILESC=C(C)C(N)=O.CCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H16N.C4H7NO.ClH/c1-5-6-7(2,3)4;1-3(2)4(5)6;/h5-6H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1
InChIKeyWEAQXVDSAUMZHI-UHFFFAOYSA-M
XLogP-1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride 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 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride?
The IUPAC name of 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride (CID 22325939) is 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride.
What is the SMILES notation for 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride?
The canonical SMILES for 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride is C=C(C)C(N)=O.CCC[N+](C)(C)C.[Cl-].
What is the InChIKey of 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride?
The InChIKey is WEAQXVDSAUMZHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N.C4H7NO.ClH/c1-5-6-7(2,3)4;1-3(2)4(5)6;/h5-6H2,1-4H3;1H2,2H3,(H2,5,6);1H/q+1;;/p-1.
What are the key properties of 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride?
2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride has a molecular weight of 222.76 g/mol, XLogP of -1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enamide;trimethyl(propyl)azanium;chloride is sourced from PubChem (CID 22325939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).