prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride

C9H19ClN2O — CID 174934724

IUPACprop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
SMILESC=CC(N)=O.C=CC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H14N.C3H5NO.ClH/c1-5-6-7(2,3)4;1-2-3(4)5;/h5H,1,6H2,2-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChIKeyDXSMRZZDLLMCRS-UHFFFAOYSA-M
MW206.72 g/mol
LogP-2.46
Rot. Bonds3

About prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride

prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride (PubChem CID 174934724) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride.

Molecular Properties

Compound Nameprop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
PubChem CID174934724
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Nameprop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
SMILESC=CC(N)=O.C=CC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H14N.C3H5NO.ClH/c1-5-6-7(2,3)4;1-2-3(4)5;/h5H,1,6H2,2-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChIKeyDXSMRZZDLLMCRS-UHFFFAOYSA-M
XLogP-2.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 5-2.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 172708986
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CID 174494481
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CID 160609896
diethyl(dimethyl)azanium;prop-2-enamide
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ethenylphosphonic acid;trimethyl(prop-2-enyl)azanium
CID 87909379
butyl prop-2-enoate;dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide;chloride
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dimethyl-bis(prop-2-enyl)azanium;2-hydroxyethyl prop-2-enoate;prop-2-enamide;prop-2-enoic acid;chloride
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Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride?
The IUPAC name of prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride (CID 174934724) is prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride.
What is the SMILES notation for prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride?
The canonical SMILES for prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride is C=CC(N)=O.C=CC[N+](C)(C)C.[Cl-].
What is the InChIKey of prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride?
The InChIKey is DXSMRZZDLLMCRS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14N.C3H5NO.ClH/c1-5-6-7(2,3)4;1-2-3(4)5;/h5H,1,6H2,2-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1.
What are the key properties of prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride?
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride has a molecular weight of 206.72 g/mol, XLogP of -2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride is sourced from PubChem (CID 174934724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).