dimethyl carbonate;1,3-dimethyl-2H-imidazole

C8H16N2O3 — CID 175750899

IUPACdimethyl carbonate;1,3-dimethyl-2H-imidazole
SMILESCN1C=CN(C)C1.COC(=O)OC
InChIInChI=1S/C5H10N2.C3H6O3/c1-6-3-4-7(2)5-6;1-5-3(4)6-2/h3-4H,5H2,1-2H3;1-2H3
InChIKeyAINLVKHCHLYDEI-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.69
Rot. Bonds

About dimethyl carbonate;1,3-dimethyl-2H-imidazole

dimethyl carbonate;1,3-dimethyl-2H-imidazole (PubChem CID 175750899) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is dimethyl carbonate;1,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Namedimethyl carbonate;1,3-dimethyl-2H-imidazole
PubChem CID175750899
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namedimethyl carbonate;1,3-dimethyl-2H-imidazole
SMILESCN1C=CN(C)C1.COC(=O)OC
InChIInChI=1S/C5H10N2.C3H6O3/c1-6-3-4-7(2)5-6;1-5-3(4)6-2/h3-4H,5H2,1-2H3;1-2H3
InChIKeyAINLVKHCHLYDEI-UHFFFAOYSA-N
XLogP0.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl carbonate;1,3-dimethyl-2H-imidazole?
The IUPAC name of dimethyl carbonate;1,3-dimethyl-2H-imidazole (CID 175750899) is dimethyl carbonate;1,3-dimethyl-2H-imidazole.
What is the SMILES notation for dimethyl carbonate;1,3-dimethyl-2H-imidazole?
The canonical SMILES for dimethyl carbonate;1,3-dimethyl-2H-imidazole is CN1C=CN(C)C1.COC(=O)OC.
What is the InChIKey of dimethyl carbonate;1,3-dimethyl-2H-imidazole?
The InChIKey is AINLVKHCHLYDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C3H6O3/c1-6-3-4-7(2)5-6;1-5-3(4)6-2/h3-4H,5H2,1-2H3;1-2H3.
What are the key properties of dimethyl carbonate;1,3-dimethyl-2H-imidazole?
dimethyl carbonate;1,3-dimethyl-2H-imidazole has a molecular weight of 188.23 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl carbonate;1,3-dimethyl-2H-imidazole is sourced from PubChem (CID 175750899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).