(1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate

C11H14N3O2+ — CID 852446

IUPAC(1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccn2cc[n+](C)c2c1
InChIInChI=1S/C11H14N3O2/c1-12(2)11(15)16-9-4-5-14-7-6-13(3)10(14)8-9/h4-8H,1-3H3/q+1
InChIKeyBYBDFHKUQNVOCH-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.82
Rot. Bonds1

About (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate

(1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate (PubChem CID 852446) has the molecular formula C11H14N3O2+ and a molecular weight of 220.25 g/mol. Its IUPAC name is (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate
PubChem CID852446
Molecular FormulaC11H14N3O2+
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name(1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccn2cc[n+](C)c2c1
InChIInChI=1S/C11H14N3O2/c1-12(2)11(15)16-9-4-5-14-7-6-13(3)10(14)8-9/h4-8H,1-3H3/q+1
InChIKeyBYBDFHKUQNVOCH-UHFFFAOYSA-N
XLogP0.82
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.82
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-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate?
The IUPAC name of (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate (CID 852446) is (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccn2cc[n+](C)c2c1.
What is the InChIKey of (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate?
The InChIKey is BYBDFHKUQNVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N3O2/c1-12(2)11(15)16-9-4-5-14-7-6-13(3)10(14)8-9/h4-8H,1-3H3/q+1.
What are the key properties of (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate?
(1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate has a molecular weight of 220.25 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[1,2-a]pyridin-1-ium-7-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 852446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).