dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride

C13H24ClN3O3 — CID 3022921

IUPACdimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride
SMILESC=C(C)C(=O)OCC[N+](C)(C)C(C)N1CCNC1=O.[Cl-]
InChIInChI=1S/C13H23N3O3.ClH/c1-10(2)12(17)19-9-8-16(4,5)11(3)15-7-6-14-13(15)18;/h11H,1,6-9H2,2-5H3;1H
InChIKeyUKOIWMJTVOMIAG-UHFFFAOYSA-N
MW305.81 g/mol
LogP-2.44
Rot. Bonds6

About dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride

dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride (PubChem CID 3022921) has the molecular formula C13H24ClN3O3 and a molecular weight of 305.81 g/mol. Its IUPAC name is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride.

Molecular Properties

Compound Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride
PubChem CID3022921
Molecular FormulaC13H24ClN3O3
Molecular Weight305.81 g/mol
Exact Mass305.15
IUPAC Namedimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride
SMILESC=C(C)C(=O)OCC[N+](C)(C)C(C)N1CCNC1=O.[Cl-]
InChIInChI=1S/C13H23N3O3.ClH/c1-10(2)12(17)19-9-8-16(4,5)11(3)15-7-6-14-13(15)18;/h11H,1,6-9H2,2-5H3;1H
InChIKeyUKOIWMJTVOMIAG-UHFFFAOYSA-N
XLogP-2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride?
The IUPAC name of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride (CID 3022921) is dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride.
What is the SMILES notation for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride?
The canonical SMILES for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride is C=C(C)C(=O)OCC[N+](C)(C)C(C)N1CCNC1=O.[Cl-].
What is the InChIKey of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride?
The InChIKey is UKOIWMJTVOMIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3.ClH/c1-10(2)12(17)19-9-8-16(4,5)11(3)15-7-6-14-13(15)18;/h11H,1,6-9H2,2-5H3;1H.
What are the key properties of dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride?
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride has a molecular weight of 305.81 g/mol, XLogP of -2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride is sourced from PubChem (CID 3022921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).