2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium

C10H21ClN3O+ — CID 46202340

IUPAC2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium
SMILESCC1(C)CN(CC[N+](C)(C)C)C(=O)N1Cl
InChIInChI=1S/C10H21ClN3O/c1-10(2)8-12(9(15)13(10)11)6-7-14(3,4)5/h6-8H2,1-5H3/q+1
InChIKeyVSOWCGBQFZVGGR-UHFFFAOYSA-N
MW234.75 g/mol
LogP1.36
Rot. Bonds3

About 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium

2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium (PubChem CID 46202340) has the molecular formula C10H21ClN3O+ and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium
PubChem CID46202340
Molecular FormulaC10H21ClN3O+
Molecular Weight234.75 g/mol
Exact Mass234.14
IUPAC Name2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium
SMILESCC1(C)CN(CC[N+](C)(C)C)C(=O)N1Cl
InChIInChI=1S/C10H21ClN3O/c1-10(2)8-12(9(15)13(10)11)6-7-14(3,4)5/h6-8H2,1-5H3/q+1
InChIKeyVSOWCGBQFZVGGR-UHFFFAOYSA-N
XLogP1.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium?
The IUPAC name of 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium (CID 46202340) is 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium?
The canonical SMILES for 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium is CC1(C)CN(CC[N+](C)(C)C)C(=O)N1Cl.
What is the InChIKey of 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium?
The InChIKey is VSOWCGBQFZVGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN3O/c1-10(2)8-12(9(15)13(10)11)6-7-14(3,4)5/h6-8H2,1-5H3/q+1.
What are the key properties of 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium?
2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium has a molecular weight of 234.75 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4,4-dimethyl-2-oxoimidazolidin-1-yl)ethyl-trimethylazanium is sourced from PubChem (CID 46202340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).