1-imidazol-1-yl-2-methoxyethanone

C6H8N2O2 — CID 12883809

IUPAC1-imidazol-1-yl-2-methoxyethanone
SMILESCOCC(=O)n1ccnc1
InChIInChI=1S/C6H8N2O2/c1-10-4-6(9)8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChIKeyFGZHEMUBCFDEDD-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.17
Rot. Bonds2

About 1-imidazol-1-yl-2-methoxyethanone

1-imidazol-1-yl-2-methoxyethanone (PubChem CID 12883809) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-imidazol-1-yl-2-methoxyethanone.

Molecular Properties

Compound Name1-imidazol-1-yl-2-methoxyethanone
PubChem CID12883809
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-imidazol-1-yl-2-methoxyethanone
SMILESCOCC(=O)n1ccnc1
InChIInChI=1S/C6H8N2O2/c1-10-4-6(9)8-3-2-7-5-8/h2-3,5H,4H2,1H3
InChIKeyFGZHEMUBCFDEDD-UHFFFAOYSA-N
XLogP0.17
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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 1-imidazol-1-yl-2-methoxyethanone?
The IUPAC name of 1-imidazol-1-yl-2-methoxyethanone (CID 12883809) is 1-imidazol-1-yl-2-methoxyethanone.
What is the SMILES notation for 1-imidazol-1-yl-2-methoxyethanone?
The canonical SMILES for 1-imidazol-1-yl-2-methoxyethanone is COCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-2-methoxyethanone?
The InChIKey is FGZHEMUBCFDEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-10-4-6(9)8-3-2-7-5-8/h2-3,5H,4H2,1H3.
What are the key properties of 1-imidazol-1-yl-2-methoxyethanone?
1-imidazol-1-yl-2-methoxyethanone has a molecular weight of 140.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2-methoxyethanone is sourced from PubChem (CID 12883809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).