5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide

C13H15NO3 — CID 3492256

IUPAC5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C13H15NO3/c1-2-10-8-11(13(16)17-10)12(15)14-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,14,15)
InChIKeyYPZYSSGUWYZGGE-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.97
Rot. Bonds3

About 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide

5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide (PubChem CID 3492256) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide
PubChem CID3492256
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C13H15NO3/c1-2-10-8-11(13(16)17-10)12(15)14-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,14,15)
InChIKeyYPZYSSGUWYZGGE-UHFFFAOYSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide?
The IUPAC name of 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide (CID 3492256) is 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide?
The canonical SMILES for 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide is CCC1CC(C(=O)Nc2ccccc2)C(=O)O1.
What is the InChIKey of 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide?
The InChIKey is YPZYSSGUWYZGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-10-8-11(13(16)17-10)12(15)14-9-6-4-3-5-7-9/h3-7,10-11H,2,8H2,1H3,(H,14,15).
What are the key properties of 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide?
5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxo-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 3492256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).