trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride

C7H15ClN2O — CID 19380335

IUPACtrimethyl-[methyl(prop-2-enoyl)amino]azanium chloride
SMILESC=CC(=O)N(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H15N2O.ClH/c1-6-7(10)8(2)9(3,4)5;/h6H,1H2,2-5H3;1H/q+1;/p-1
InChIKeyDOZHHZJLORUYDI-UHFFFAOYSA-M
MW178.66 g/mol
LogP-2.74
Rot. Bonds2

About trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride

trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride (PubChem CID 19380335) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[methyl(prop-2-enoyl)amino]azanium chloride
PubChem CID19380335
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Nametrimethyl-[methyl(prop-2-enoyl)amino]azanium chloride
SMILESC=CC(=O)N(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C7H15N2O.ClH/c1-6-7(10)8(2)9(3,4)5;/h6H,1H2,2-5H3;1H/q+1;/p-1
InChIKeyDOZHHZJLORUYDI-UHFFFAOYSA-M
XLogP-2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 5-2.74
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride?
The IUPAC name of trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride (CID 19380335) is trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride.
What is the SMILES notation for trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride?
The canonical SMILES for trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride is C=CC(=O)N(C)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride?
The InChIKey is DOZHHZJLORUYDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15N2O.ClH/c1-6-7(10)8(2)9(3,4)5;/h6H,1H2,2-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride?
trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride has a molecular weight of 178.66 g/mol, XLogP of -2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[methyl(prop-2-enoyl)amino]azanium chloride is sourced from PubChem (CID 19380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).