1-(2-ethyl-1H-imidazol-5-yl)ethanone

C7H10N2O — CID 13058850

IUPAC1-(2-ethyl-1H-imidazol-5-yl)ethanone
SMILESCCc1ncc(C(C)=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-3-7-8-4-6(9-7)5(2)10/h4H,3H2,1-2H3,(H,8,9)
InChIKeyNVFXGSOFYVCEHP-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.17
Rot. Bonds2

About 1-(2-ethyl-1H-imidazol-5-yl)ethanone

1-(2-ethyl-1H-imidazol-5-yl)ethanone (PubChem CID 13058850) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2-ethyl-1H-imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-ethyl-1H-imidazol-5-yl)ethanone
PubChem CID13058850
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name1-(2-ethyl-1H-imidazol-5-yl)ethanone
SMILESCCc1ncc(C(C)=O)[nH]1
InChIInChI=1S/C7H10N2O/c1-3-7-8-4-6(9-7)5(2)10/h4H,3H2,1-2H3,(H,8,9)
InChIKeyNVFXGSOFYVCEHP-UHFFFAOYSA-N
XLogP1.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1H-imidazol-5-yl)ethanone?
The IUPAC name of 1-(2-ethyl-1H-imidazol-5-yl)ethanone (CID 13058850) is 1-(2-ethyl-1H-imidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-ethyl-1H-imidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-ethyl-1H-imidazol-5-yl)ethanone is CCc1ncc(C(C)=O)[nH]1.
What is the InChIKey of 1-(2-ethyl-1H-imidazol-5-yl)ethanone?
The InChIKey is NVFXGSOFYVCEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-7-8-4-6(9-7)5(2)10/h4H,3H2,1-2H3,(H,8,9).
What are the key properties of 1-(2-ethyl-1H-imidazol-5-yl)ethanone?
1-(2-ethyl-1H-imidazol-5-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1H-imidazol-5-yl)ethanone is sourced from PubChem (CID 13058850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).