3-oxo-N-(2-oxooxolan-3-yl)butanamide

C8H11NO4 — CID 11513882

IUPAC3-oxo-N-(2-oxooxolan-3-yl)butanamide
SMILESCC(=O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)
InChIKeyFIHPLICEAUNEFV-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.60
Rot. Bonds3

About 3-oxo-N-(2-oxooxolan-3-yl)butanamide

3-oxo-N-(2-oxooxolan-3-yl)butanamide (PubChem CID 11513882) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-oxo-N-(2-oxooxolan-3-yl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxooxolan-3-yl)butanamide
PubChem CID11513882
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-oxo-N-(2-oxooxolan-3-yl)butanamide
SMILESCC(=O)CC(=O)NC1CCOC1=O
InChIInChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11)
InChIKeyFIHPLICEAUNEFV-UHFFFAOYSA-N
XLogP-0.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-oxo-N-(2-oxooxolan-3-yl)butanamide?
The IUPAC name of 3-oxo-N-(2-oxooxolan-3-yl)butanamide (CID 11513882) is 3-oxo-N-(2-oxooxolan-3-yl)butanamide.
What is the SMILES notation for 3-oxo-N-(2-oxooxolan-3-yl)butanamide?
The canonical SMILES for 3-oxo-N-(2-oxooxolan-3-yl)butanamide is CC(=O)CC(=O)NC1CCOC1=O.
What is the InChIKey of 3-oxo-N-(2-oxooxolan-3-yl)butanamide?
The InChIKey is FIHPLICEAUNEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h6H,2-4H2,1H3,(H,9,11).
What are the key properties of 3-oxo-N-(2-oxooxolan-3-yl)butanamide?
3-oxo-N-(2-oxooxolan-3-yl)butanamide has a molecular weight of 185.18 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxooxolan-3-yl)butanamide is sourced from PubChem (CID 11513882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).