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

C8H19ClN2O — CID 22065554

IUPACethyl(trimethyl)azanium;prop-2-enamide;chloride
SMILESC=CC(N)=O.CC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C5H14N.C3H5NO.ClH/c1-5-6(2,3)4;1-2-3(4)5;/h5H2,1-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChIKeyHWRHHYJNAIBXPC-UHFFFAOYSA-M
MW194.71 g/mol
LogP-2.63
Rot. Bonds2

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

ethyl(trimethyl)azanium;prop-2-enamide;chloride (PubChem CID 22065554) has the molecular formula C8H19ClN2O and a molecular weight of 194.71 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;prop-2-enamide;chloride.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;prop-2-enamide;chloride
PubChem CID22065554
Molecular FormulaC8H19ClN2O
Molecular Weight194.71 g/mol
Exact Mass194.12
IUPAC Nameethyl(trimethyl)azanium;prop-2-enamide;chloride
SMILESC=CC(N)=O.CC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C5H14N.C3H5NO.ClH/c1-5-6(2,3)4;1-2-3(4)5;/h5H2,1-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1
InChIKeyHWRHHYJNAIBXPC-UHFFFAOYSA-M
XLogP-2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.71
LogP ≤ 5-2.63
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'}

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Related Compounds

N,N-Dimethyl-N-(prop-2-en-1-yl)prop-2-en-1-aminium prop-2-enimidate--hydrogen chloride (1/1/1)
CID 168563
2-Propenamide, polymer with N-methyl-N-2-propen-1-yl-2-propen-1-amine hydrochloride
CID 6455829
prop-2-enamide;N-prop-2-enylprop-2-en-1-amine;hydrochloride
CID 87123978
(E)-4-(Dimethylamino)but-2-enamide
CID 10582800
N,N-dimethylprop-2-enamide;prop-2-enamide
CID 19754910
Acrylamide propyltrimethylammonium chloride
CID 21902661
Dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
CID 23514292
4-(Dimethylamino)but-2-enamide
CID 54514979
2-Propen-1-aminium, N,N-diethyl-N-2-propen-1-yl-, chloride, polymer with N,N-dimethyl-N-2-propen-1-yl-2-propen-1-aminium chloride and 2-propenamide
CID 155288835
Bis(prop-2-enyl)azanium;prop-2-enamide;chloride
CID 22912602
(3-Carbamoylallyl)trimethylammonium
CID 88658266
(E)-4-(Diethylamino)but-2-enamide
CID 10797010

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;prop-2-enamide;chloride?
The IUPAC name of ethyl(trimethyl)azanium;prop-2-enamide;chloride (CID 22065554) is ethyl(trimethyl)azanium;prop-2-enamide;chloride.
What is the SMILES notation for ethyl(trimethyl)azanium;prop-2-enamide;chloride?
The canonical SMILES for ethyl(trimethyl)azanium;prop-2-enamide;chloride is C=CC(N)=O.CC[N+](C)(C)C.[Cl-].
What is the InChIKey of ethyl(trimethyl)azanium;prop-2-enamide;chloride?
The InChIKey is HWRHHYJNAIBXPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H14N.C3H5NO.ClH/c1-5-6(2,3)4;1-2-3(4)5;/h5H2,1-4H3;2H,1H2,(H2,4,5);1H/q+1;;/p-1.
What are the key properties of ethyl(trimethyl)azanium;prop-2-enamide;chloride?
ethyl(trimethyl)azanium;prop-2-enamide;chloride has a molecular weight of 194.71 g/mol, XLogP of -2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;prop-2-enamide;chloride is sourced from PubChem (CID 22065554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).