acetamido-dimethyl-prop-2-enylazanium chloride

C7H15ClN2O — CID 21429946

IUPACacetamido-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)NC(C)=O.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-5-6-9(3,4)8-7(2)10;/h5H,1,6H2,2-4H3;1H
InChIKeyGCIIALKTLCDXFF-UHFFFAOYSA-N
MW178.66 g/mol
LogP-2.70
Rot. Bonds3

About acetamido-dimethyl-prop-2-enylazanium chloride

acetamido-dimethyl-prop-2-enylazanium chloride (PubChem CID 21429946) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is acetamido-dimethyl-prop-2-enylazanium chloride.

Molecular Properties

Compound Nameacetamido-dimethyl-prop-2-enylazanium chloride
PubChem CID21429946
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Nameacetamido-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)NC(C)=O.[Cl-]
InChIInChI=1S/C7H14N2O.ClH/c1-5-6-9(3,4)8-7(2)10;/h5H,1,6H2,2-4H3;1H
InChIKeyGCIIALKTLCDXFF-UHFFFAOYSA-N
XLogP-2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 5-2.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diacetamido-bis(prop-2-enyl)azanium
CID 176837822
carbonic acid;trimethyl(prop-2-enyl)azanium
CID 174635433
prop-2-enamide;trimethyl(prop-2-enyl)azanium;chloride
CID 174934724
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
bis(2-oxopropyl)-bis(prop-2-enyl)azanium
CID 139964451
acetamido-hexadecyl-dimethylazanium
CID 154504461
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
dimethyl-bis(prop-2-enyl)azanium;2,2-dimethylpropanoic acid
CID 87375261
2-[dimethyl(prop-2-enyl)azaniumyl]acetate
CID 87969479

Frequently Asked Questions

What is the IUPAC name of acetamido-dimethyl-prop-2-enylazanium chloride?
The IUPAC name of acetamido-dimethyl-prop-2-enylazanium chloride (CID 21429946) is acetamido-dimethyl-prop-2-enylazanium chloride.
What is the SMILES notation for acetamido-dimethyl-prop-2-enylazanium chloride?
The canonical SMILES for acetamido-dimethyl-prop-2-enylazanium chloride is C=CC[N+](C)(C)NC(C)=O.[Cl-].
What is the InChIKey of acetamido-dimethyl-prop-2-enylazanium chloride?
The InChIKey is GCIIALKTLCDXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-5-6-9(3,4)8-7(2)10;/h5H,1,6H2,2-4H3;1H.
What are the key properties of acetamido-dimethyl-prop-2-enylazanium chloride?
acetamido-dimethyl-prop-2-enylazanium chloride has a molecular weight of 178.66 g/mol, XLogP of -2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamido-dimethyl-prop-2-enylazanium chloride is sourced from PubChem (CID 21429946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).