(5-methylimidazol-1-yl) acetate

C6H8N2O2 — CID 175153619

IUPAC(5-methylimidazol-1-yl) acetate
SMILESCC(=O)On1cncc1C
InChIInChI=1S/C6H8N2O2/c1-5-3-7-4-8(5)10-6(2)9/h3-4H,1-2H3
InChIKeyKOWOQDSUXOBDJI-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds1

About (5-methylimidazol-1-yl) acetate

(5-methylimidazol-1-yl) acetate (PubChem CID 175153619) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5-methylimidazol-1-yl) acetate.

Molecular Properties

Compound Name(5-methylimidazol-1-yl) acetate
PubChem CID175153619
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(5-methylimidazol-1-yl) acetate
SMILESCC(=O)On1cncc1C
InChIInChI=1S/C6H8N2O2/c1-5-3-7-4-8(5)10-6(2)9/h3-4H,1-2H3
InChIKeyKOWOQDSUXOBDJI-UHFFFAOYSA-N
XLogP0.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylimidazol-1-yl) acetate?
The IUPAC name of (5-methylimidazol-1-yl) acetate (CID 175153619) is (5-methylimidazol-1-yl) acetate.
What is the SMILES notation for (5-methylimidazol-1-yl) acetate?
The canonical SMILES for (5-methylimidazol-1-yl) acetate is CC(=O)On1cncc1C.
What is the InChIKey of (5-methylimidazol-1-yl) acetate?
The InChIKey is KOWOQDSUXOBDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-3-7-4-8(5)10-6(2)9/h3-4H,1-2H3.
What are the key properties of (5-methylimidazol-1-yl) acetate?
(5-methylimidazol-1-yl) acetate has a molecular weight of 140.14 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylimidazol-1-yl) acetate is sourced from PubChem (CID 175153619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).