3-pyrrolidin-1-yl-2H-furan-5-one

C8H11NO2 — CID 13402454

IUPAC3-pyrrolidin-1-yl-2H-furan-5-one
SMILESO=C1C=C(N2CCCC2)CO1
InChIInChI=1S/C8H11NO2/c10-8-5-7(6-11-8)9-3-1-2-4-9/h5H,1-4,6H2
InChIKeyLJMCLJCNKMDYKL-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.52
Rot. Bonds1

About 3-pyrrolidin-1-yl-2H-furan-5-one

3-pyrrolidin-1-yl-2H-furan-5-one (PubChem CID 13402454) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-2H-furan-5-one
PubChem CID13402454
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-pyrrolidin-1-yl-2H-furan-5-one
SMILESO=C1C=C(N2CCCC2)CO1
InChIInChI=1S/C8H11NO2/c10-8-5-7(6-11-8)9-3-1-2-4-9/h5H,1-4,6H2
InChIKeyLJMCLJCNKMDYKL-UHFFFAOYSA-N
XLogP0.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-2H-furan-5-one?
The IUPAC name of 3-pyrrolidin-1-yl-2H-furan-5-one (CID 13402454) is 3-pyrrolidin-1-yl-2H-furan-5-one.
What is the SMILES notation for 3-pyrrolidin-1-yl-2H-furan-5-one?
The canonical SMILES for 3-pyrrolidin-1-yl-2H-furan-5-one is O=C1C=C(N2CCCC2)CO1.
What is the InChIKey of 3-pyrrolidin-1-yl-2H-furan-5-one?
The InChIKey is LJMCLJCNKMDYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c10-8-5-7(6-11-8)9-3-1-2-4-9/h5H,1-4,6H2.
What are the key properties of 3-pyrrolidin-1-yl-2H-furan-5-one?
3-pyrrolidin-1-yl-2H-furan-5-one has a molecular weight of 153.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-2H-furan-5-one is sourced from PubChem (CID 13402454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).