3-pyrrolidin-1-yloxolane-2,5-dione

C8H11NO3 — CID 88826937

IUPAC3-pyrrolidin-1-yloxolane-2,5-dione
SMILESO=C1CC(N2CCCC2)C(=O)O1
InChIInChI=1S/C8H11NO3/c10-7-5-6(8(11)12-7)9-3-1-2-4-9/h6H,1-5H2
InChIKeyPMJCJVHCSFFKRS-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.08
Rot. Bonds1

About 3-pyrrolidin-1-yloxolane-2,5-dione

3-pyrrolidin-1-yloxolane-2,5-dione (PubChem CID 88826937) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-pyrrolidin-1-yloxolane-2,5-dione.

Molecular Properties

Compound Name3-pyrrolidin-1-yloxolane-2,5-dione
PubChem CID88826937
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-pyrrolidin-1-yloxolane-2,5-dione
SMILESO=C1CC(N2CCCC2)C(=O)O1
InChIInChI=1S/C8H11NO3/c10-7-5-6(8(11)12-7)9-3-1-2-4-9/h6H,1-5H2
InChIKeyPMJCJVHCSFFKRS-UHFFFAOYSA-N
XLogP-0.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
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-pyrrolidin-1-yloxolane-2,5-dione?
The IUPAC name of 3-pyrrolidin-1-yloxolane-2,5-dione (CID 88826937) is 3-pyrrolidin-1-yloxolane-2,5-dione.
What is the SMILES notation for 3-pyrrolidin-1-yloxolane-2,5-dione?
The canonical SMILES for 3-pyrrolidin-1-yloxolane-2,5-dione is O=C1CC(N2CCCC2)C(=O)O1.
What is the InChIKey of 3-pyrrolidin-1-yloxolane-2,5-dione?
The InChIKey is PMJCJVHCSFFKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-5-6(8(11)12-7)9-3-1-2-4-9/h6H,1-5H2.
What are the key properties of 3-pyrrolidin-1-yloxolane-2,5-dione?
3-pyrrolidin-1-yloxolane-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yloxolane-2,5-dione is sourced from PubChem (CID 88826937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).