dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium

C10H17N2O3+ — CID 139672556

IUPACdimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium
SMILESC=CC(=O)NC[N+](C)(C)OC(=O)C(=C)C
InChIInChI=1S/C10H16N2O3/c1-6-9(13)11-7-12(4,5)15-10(14)8(2)3/h6H,1-2,7H2,3-5H3/p+1
InChIKeyAIOYFURSLKWNCI-UHFFFAOYSA-O
MW213.26 g/mol
LogP0.36
Rot. Bonds5

About dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium

dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium (PubChem CID 139672556) has the molecular formula C10H17N2O3+ and a molecular weight of 213.26 g/mol. Its IUPAC name is dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium.

Molecular Properties

Compound Namedimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium
PubChem CID139672556
Molecular FormulaC10H17N2O3+
Molecular Weight213.26 g/mol
Exact Mass213.12
IUPAC Namedimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium
SMILESC=CC(=O)NC[N+](C)(C)OC(=O)C(=C)C
InChIInChI=1S/C10H16N2O3/c1-6-9(13)11-7-12(4,5)15-10(14)8(2)3/h6H,1-2,7H2,3-5H3/p+1
InChIKeyAIOYFURSLKWNCI-UHFFFAOYSA-O
XLogP0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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'}

Analyze dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium with MolForge

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Related Compounds

methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
CID 161490642
triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059
N-(3-methyl-2-methylidenebut-3-enyl)prop-2-enamide
CID 89005604
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
bis(ethyl-dimethyl-(2-methylprop-2-enoyloxy)azanium);sulfate
CID 156858936
butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide
CID 87218117
chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
CID 174765196
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158465618
2-(diethylamino)ethyl 2-methylprop-2-enoate;N-ethylprop-2-enamide;methane
CID 161409865
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522
N-(hydroxymethyl)prop-2-enamide;2-isocyanatoethyl 2-methylprop-2-enoate
CID 88605644

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium?
The IUPAC name of dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium (CID 139672556) is dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium.
What is the SMILES notation for dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium?
The canonical SMILES for dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium is C=CC(=O)NC[N+](C)(C)OC(=O)C(=C)C.
What is the InChIKey of dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium?
The InChIKey is AIOYFURSLKWNCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H16N2O3/c1-6-9(13)11-7-12(4,5)15-10(14)8(2)3/h6H,1-2,7H2,3-5H3/p+1.
What are the key properties of dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium?
dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium has a molecular weight of 213.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium is sourced from PubChem (CID 139672556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).