(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate

C8H14N2O2 — CID 66647991

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate
SMILESCCN1C=CN(C)C1OC(C)=O
InChIInChI=1S/C8H14N2O2/c1-4-10-6-5-9(3)8(10)12-7(2)11/h5-6,8H,4H2,1-3H3
InChIKeyRHQRMOZXRIQWQB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.57
Rot. Bonds2

About (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate

(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate (PubChem CID 66647991) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate
PubChem CID66647991
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate
SMILESCCN1C=CN(C)C1OC(C)=O
InChIInChI=1S/C8H14N2O2/c1-4-10-6-5-9(3)8(10)12-7(2)11/h5-6,8H,4H2,1-3H3
InChIKeyRHQRMOZXRIQWQB-UHFFFAOYSA-N
XLogP0.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate (CID 66647991) is (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate is CCN1C=CN(C)C1OC(C)=O.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate?
The InChIKey is RHQRMOZXRIQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-10-6-5-9(3)8(10)12-7(2)11/h5-6,8H,4H2,1-3H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) acetate has a molecular weight of 170.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) acetate is sourced from PubChem (CID 66647991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).