(2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate

C10H15N2O3- — CID 22938858

IUPAC(2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate
SMILESCCCn1c(CC)nc(C)c1OC(=O)[O-]
InChIInChI=1S/C10H16N2O3/c1-4-6-12-8(5-2)11-7(3)9(12)15-10(13)14/h4-6H2,1-3H3,(H,13,14)/p-1
InChIKeyZYGADQOEUFBULV-UHFFFAOYSA-M
MW211.24 g/mol
LogP0.89
Rot. Bonds4

About (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate

(2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate (PubChem CID 22938858) has the molecular formula C10H15N2O3- and a molecular weight of 211.24 g/mol. Its IUPAC name is (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate.

Molecular Properties

Compound Name(2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate
PubChem CID22938858
Molecular FormulaC10H15N2O3-
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name(2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate
SMILESCCCn1c(CC)nc(C)c1OC(=O)[O-]
InChIInChI=1S/C10H16N2O3/c1-4-6-12-8(5-2)11-7(3)9(12)15-10(13)14/h4-6H2,1-3H3,(H,13,14)/p-1
InChIKeyZYGADQOEUFBULV-UHFFFAOYSA-M
XLogP0.89
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate?
The IUPAC name of (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate (CID 22938858) is (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate.
What is the SMILES notation for (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate?
The canonical SMILES for (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate is CCCn1c(CC)nc(C)c1OC(=O)[O-].
What is the InChIKey of (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate?
The InChIKey is ZYGADQOEUFBULV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N2O3/c1-4-6-12-8(5-2)11-7(3)9(12)15-10(13)14/h4-6H2,1-3H3,(H,13,14)/p-1.
What are the key properties of (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate?
(2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate has a molecular weight of 211.24 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methyl-3-propylimidazol-4-yl) carbonate is sourced from PubChem (CID 22938858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).