trimethyl-(prop-2-enoylamino)azanium chloride

C6H13ClN2O — CID 19598172

IUPACtrimethyl-(prop-2-enoylamino)azanium chloride
SMILESC=CC(=O)N[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H12N2O.ClH/c1-5-6(9)7-8(2,3)4;/h5H,1H2,2-4H3;1H
InChIKeyOTRQTVHWMPQPOJ-UHFFFAOYSA-N
MW164.64 g/mol
LogP-3.09
Rot. Bonds2

About trimethyl-(prop-2-enoylamino)azanium chloride

trimethyl-(prop-2-enoylamino)azanium chloride (PubChem CID 19598172) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is trimethyl-(prop-2-enoylamino)azanium chloride.

Molecular Properties

Compound Nametrimethyl-(prop-2-enoylamino)azanium chloride
PubChem CID19598172
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Nametrimethyl-(prop-2-enoylamino)azanium chloride
SMILESC=CC(=O)N[N+](C)(C)C.[Cl-]
InChIInChI=1S/C6H12N2O.ClH/c1-5-6(9)7-8(2,3)4;/h5H,1H2,2-4H3;1H
InChIKeyOTRQTVHWMPQPOJ-UHFFFAOYSA-N
XLogP-3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-3.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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

Crotonic 2,2-dimethylhydrazide
CID 21704825
Methyl-(prop-2-enoylamino)azanium chloride
CID 19086392
N'-methylprop-2-enehydrazide
CID 19086393
Trimethyl-(prop-2-enoylamino)azanium
CID 19598173
Acetamido-dimethyl-prop-2-enylazanium chloride
CID 21429946
(Prop-2-enoylamino)-propylazanium chloride
CID 21744838
N',N'-dimethylprop-2-enehydrazide
CID 22020427
N,N'-dimethylprop-2-enehydrazide
CID 23183837
Methyl-(prop-2-enoylamino)-propylazanium chloride
CID 23187779
N'-methyl-N'-propylprop-2-enehydrazide
CID 23187780
N-methylprop-2-enehydrazide
CID 53690741
Dimethyl-(prop-2-enoylamino)-propylazanium
CID 54001668

Frequently Asked Questions

What is the IUPAC name of trimethyl-(prop-2-enoylamino)azanium chloride?
The IUPAC name of trimethyl-(prop-2-enoylamino)azanium chloride (CID 19598172) is trimethyl-(prop-2-enoylamino)azanium chloride.
What is the SMILES notation for trimethyl-(prop-2-enoylamino)azanium chloride?
The canonical SMILES for trimethyl-(prop-2-enoylamino)azanium chloride is C=CC(=O)N[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-(prop-2-enoylamino)azanium chloride?
The InChIKey is OTRQTVHWMPQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-5-6(9)7-8(2,3)4;/h5H,1H2,2-4H3;1H.
What are the key properties of trimethyl-(prop-2-enoylamino)azanium chloride?
trimethyl-(prop-2-enoylamino)azanium chloride has a molecular weight of 164.64 g/mol, XLogP of -3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(prop-2-enoylamino)azanium chloride is sourced from PubChem (CID 19598172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).