3-ethyl-1H-imidazol-2-one

C5H8N2O — CID 14065290

IUPAC3-ethyl-1H-imidazol-2-one
SMILESCCn1cc[nH]c1=O
InChIInChI=1S/C5H8N2O/c1-2-7-4-3-6-5(7)8/h3-4H,2H2,1H3,(H,6,8)
InChIKeyAVRBNZMLWXGVKZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.20
Rot. Bonds1

About 3-ethyl-1H-imidazol-2-one

3-ethyl-1H-imidazol-2-one (PubChem CID 14065290) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 3-ethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-ethyl-1H-imidazol-2-one
PubChem CID14065290
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name3-ethyl-1H-imidazol-2-one
SMILESCCn1cc[nH]c1=O
InChIInChI=1S/C5H8N2O/c1-2-7-4-3-6-5(7)8/h3-4H,2H2,1H3,(H,6,8)
InChIKeyAVRBNZMLWXGVKZ-UHFFFAOYSA-N
XLogP0.20
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1H-imidazol-2-one?
The IUPAC name of 3-ethyl-1H-imidazol-2-one (CID 14065290) is 3-ethyl-1H-imidazol-2-one.
What is the SMILES notation for 3-ethyl-1H-imidazol-2-one?
The canonical SMILES for 3-ethyl-1H-imidazol-2-one is CCn1cc[nH]c1=O.
What is the InChIKey of 3-ethyl-1H-imidazol-2-one?
The InChIKey is AVRBNZMLWXGVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-2-7-4-3-6-5(7)8/h3-4H,2H2,1H3,(H,6,8).
What are the key properties of 3-ethyl-1H-imidazol-2-one?
3-ethyl-1H-imidazol-2-one has a molecular weight of 112.13 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1H-imidazol-2-one is sourced from PubChem (CID 14065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).