methyl (1-methylimidazol-4-yl)methyl carbonate

C7H10N2O3 — CID 89314000

IUPACmethyl (1-methylimidazol-4-yl)methyl carbonate
SMILESCOC(=O)OCc1cn(C)cn1
InChIInChI=1S/C7H10N2O3/c1-9-3-6(8-5-9)4-12-7(10)11-2/h3,5H,4H2,1-2H3
InChIKeyFWCFEKNGCKXWBR-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.70
Rot. Bonds2

About methyl (1-methylimidazol-4-yl)methyl carbonate

methyl (1-methylimidazol-4-yl)methyl carbonate (PubChem CID 89314000) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl (1-methylimidazol-4-yl)methyl carbonate.

Molecular Properties

Compound Namemethyl (1-methylimidazol-4-yl)methyl carbonate
PubChem CID89314000
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl (1-methylimidazol-4-yl)methyl carbonate
SMILESCOC(=O)OCc1cn(C)cn1
InChIInChI=1S/C7H10N2O3/c1-9-3-6(8-5-9)4-12-7(10)11-2/h3,5H,4H2,1-2H3
InChIKeyFWCFEKNGCKXWBR-UHFFFAOYSA-N
XLogP0.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (1-methylimidazol-4-yl)methyl carbonate?
The IUPAC name of methyl (1-methylimidazol-4-yl)methyl carbonate (CID 89314000) is methyl (1-methylimidazol-4-yl)methyl carbonate.
What is the SMILES notation for methyl (1-methylimidazol-4-yl)methyl carbonate?
The canonical SMILES for methyl (1-methylimidazol-4-yl)methyl carbonate is COC(=O)OCc1cn(C)cn1.
What is the InChIKey of methyl (1-methylimidazol-4-yl)methyl carbonate?
The InChIKey is FWCFEKNGCKXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-3-6(8-5-9)4-12-7(10)11-2/h3,5H,4H2,1-2H3.
What are the key properties of methyl (1-methylimidazol-4-yl)methyl carbonate?
methyl (1-methylimidazol-4-yl)methyl carbonate has a molecular weight of 170.17 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1-methylimidazol-4-yl)methyl carbonate is sourced from PubChem (CID 89314000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).