1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone

C9H12N2O — CID 45086294

IUPAC1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone
SMILESCC(=O)c1cnc(C2CC2)n1C
InChIInChI=1S/C9H12N2O/c1-6(12)8-5-10-9(11(8)2)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyJXWVGZARRQNSTA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.50
Rot. Bonds2

About 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone

1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone (PubChem CID 45086294) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone
PubChem CID45086294
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone
SMILESCC(=O)c1cnc(C2CC2)n1C
InChIInChI=1S/C9H12N2O/c1-6(12)8-5-10-9(11(8)2)7-3-4-7/h5,7H,3-4H2,1-2H3
InChIKeyJXWVGZARRQNSTA-UHFFFAOYSA-N
XLogP1.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone?
The IUPAC name of 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone (CID 45086294) is 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone?
The canonical SMILES for 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone is CC(=O)c1cnc(C2CC2)n1C.
What is the InChIKey of 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone?
The InChIKey is JXWVGZARRQNSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(12)8-5-10-9(11(8)2)7-3-4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone?
1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-3-methylimidazol-4-yl)ethanone is sourced from PubChem (CID 45086294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).