5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one

C15H16N2O2 — CID 70474539

IUPAC5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one
SMILESCCC1CC(c2ccccc2)(c2ncc[nH]2)C(=O)O1
InChIInChI=1S/C15H16N2O2/c1-2-12-10-15(14(18)19-12,13-16-8-9-17-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,16,17)
InChIKeyKRYYIAQWHWZIMY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.42
Rot. Bonds3

About 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one

5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one (PubChem CID 70474539) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one.

Molecular Properties

Compound Name5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one
PubChem CID70474539
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one
SMILESCCC1CC(c2ccccc2)(c2ncc[nH]2)C(=O)O1
InChIInChI=1S/C15H16N2O2/c1-2-12-10-15(14(18)19-12,13-16-8-9-17-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,16,17)
InChIKeyKRYYIAQWHWZIMY-UHFFFAOYSA-N
XLogP2.42
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one?
The IUPAC name of 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one (CID 70474539) is 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one.
What is the SMILES notation for 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one?
The canonical SMILES for 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one is CCC1CC(c2ccccc2)(c2ncc[nH]2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one?
The InChIKey is KRYYIAQWHWZIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-12-10-15(14(18)19-12,13-16-8-9-17-13)11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3,(H,16,17).
What are the key properties of 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one?
5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1H-imidazol-2-yl)-3-phenyloxolan-2-one is sourced from PubChem (CID 70474539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).