5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide

C11H15NO4 — CID 77230935

IUPAC5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide
SMILESO=C1CCC(NC(=O)C2CCC(=O)O2)CC1
InChIInChI=1S/C11H15NO4/c13-8-3-1-7(2-4-8)12-11(15)9-5-6-10(14)16-9/h7,9H,1-6H2,(H,12,15)
InChIKeyOPMJVVCYBWNSRE-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.32
Rot. Bonds2

About 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide

5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide (PubChem CID 77230935) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide
PubChem CID77230935
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide
SMILESO=C1CCC(NC(=O)C2CCC(=O)O2)CC1
InChIInChI=1S/C11H15NO4/c13-8-3-1-7(2-4-8)12-11(15)9-5-6-10(14)16-9/h7,9H,1-6H2,(H,12,15)
InChIKeyOPMJVVCYBWNSRE-UHFFFAOYSA-N
XLogP0.32
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide?
The IUPAC name of 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide (CID 77230935) is 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide?
The canonical SMILES for 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide is O=C1CCC(NC(=O)C2CCC(=O)O2)CC1.
What is the InChIKey of 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide?
The InChIKey is OPMJVVCYBWNSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-8-3-1-7(2-4-8)12-11(15)9-5-6-10(14)16-9/h7,9H,1-6H2,(H,12,15).
What are the key properties of 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide?
5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide has a molecular weight of 225.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide is sourced from PubChem (CID 77230935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).