1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one

C10H13NO3 — CID 57244909

IUPAC1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
SMILESC=CN1CCC(C2CCC(=O)O2)C1=O
InChIInChI=1S/C10H13NO3/c1-2-11-6-5-7(10(11)13)8-3-4-9(12)14-8/h2,7-8H,1,3-6H2
InChIKeyDVSQOLCLYLOUMA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.68
Rot. Bonds2

About 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one

1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one (PubChem CID 57244909) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
PubChem CID57244909
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one
SMILESC=CN1CCC(C2CCC(=O)O2)C1=O
InChIInChI=1S/C10H13NO3/c1-2-11-6-5-7(10(11)13)8-3-4-9(12)14-8/h2,7-8H,1,3-6H2
InChIKeyDVSQOLCLYLOUMA-UHFFFAOYSA-N
XLogP0.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one (CID 57244909) is 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one is C=CN1CCC(C2CCC(=O)O2)C1=O.
What is the InChIKey of 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
The InChIKey is DVSQOLCLYLOUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-11-6-5-7(10(11)13)8-3-4-9(12)14-8/h2,7-8H,1,3-6H2.
What are the key properties of 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one?
1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-(5-oxooxolan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 57244909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).