(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate

C9H16N3O2+ — CID 852393

IUPAC(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1n(C)cc[n+]1C
InChIInChI=1S/C9H16N3O2/c1-10(2)9(13)14-7-8-11(3)5-6-12(8)4/h5-6H,7H2,1-4H3/q+1
InChIKeyVIDVRVQOCVNHJG-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.05
Rot. Bonds2

About (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate

(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate (PubChem CID 852393) has the molecular formula C9H16N3O2+ and a molecular weight of 198.25 g/mol. Its IUPAC name is (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate
PubChem CID852393
Molecular FormulaC9H16N3O2+
Molecular Weight198.25 g/mol
Exact Mass198.12
IUPAC Name(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCc1n(C)cc[n+]1C
InChIInChI=1S/C9H16N3O2/c1-10(2)9(13)14-7-8-11(3)5-6-12(8)4/h5-6H,7H2,1-4H3/q+1
InChIKeyVIDVRVQOCVNHJG-UHFFFAOYSA-N
XLogP0.05
TPSA38.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate?
The IUPAC name of (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate (CID 852393) is (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate is CN(C)C(=O)OCc1n(C)cc[n+]1C.
What is the InChIKey of (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate?
The InChIKey is VIDVRVQOCVNHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N3O2/c1-10(2)9(13)14-7-8-11(3)5-6-12(8)4/h5-6H,7H2,1-4H3/q+1.
What are the key properties of (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate?
(1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate has a molecular weight of 198.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazol-1-ium-2-yl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 852393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).