2-(5-chlorofuran-2-yl)pyrrolidin-3-one

C8H8ClNO2 — CID 83828885

IUPAC2-(5-chlorofuran-2-yl)pyrrolidin-3-one
SMILESO=C1CCNC1c1ccc(Cl)o1
InChIInChI=1S/C8H8ClNO2/c9-7-2-1-6(12-7)8-5(11)3-4-10-8/h1-2,8,10H,3-4H2
InChIKeyKCYQWPWGGYSQEE-UHFFFAOYSA-N
MW185.61 g/mol
LogP1.54
Rot. Bonds1

About 2-(5-chlorofuran-2-yl)pyrrolidin-3-one

2-(5-chlorofuran-2-yl)pyrrolidin-3-one (PubChem CID 83828885) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)pyrrolidin-3-one
PubChem CID83828885
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name2-(5-chlorofuran-2-yl)pyrrolidin-3-one
SMILESO=C1CCNC1c1ccc(Cl)o1
InChIInChI=1S/C8H8ClNO2/c9-7-2-1-6(12-7)8-5(11)3-4-10-8/h1-2,8,10H,3-4H2
InChIKeyKCYQWPWGGYSQEE-UHFFFAOYSA-N
XLogP1.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)pyrrolidin-3-one?
The IUPAC name of 2-(5-chlorofuran-2-yl)pyrrolidin-3-one (CID 83828885) is 2-(5-chlorofuran-2-yl)pyrrolidin-3-one.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)pyrrolidin-3-one?
The canonical SMILES for 2-(5-chlorofuran-2-yl)pyrrolidin-3-one is O=C1CCNC1c1ccc(Cl)o1.
What is the InChIKey of 2-(5-chlorofuran-2-yl)pyrrolidin-3-one?
The InChIKey is KCYQWPWGGYSQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c9-7-2-1-6(12-7)8-5(11)3-4-10-8/h1-2,8,10H,3-4H2.
What are the key properties of 2-(5-chlorofuran-2-yl)pyrrolidin-3-one?
2-(5-chlorofuran-2-yl)pyrrolidin-3-one has a molecular weight of 185.61 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)pyrrolidin-3-one is sourced from PubChem (CID 83828885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).