3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one

C11H17NO3 — CID 20641767

IUPAC3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CCC1CCN(CC(C)=O)C1=O
InChIInChI=1S/C11H17NO3/c1-8(13)3-4-10-5-6-12(11(10)15)7-9(2)14/h10H,3-7H2,1-2H3
InChIKeyFHUZMMCQSDQBND-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds5

About 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one

3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 20641767) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
PubChem CID20641767
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CCC1CCN(CC(C)=O)C1=O
InChIInChI=1S/C11H17NO3/c1-8(13)3-4-10-5-6-12(11(10)15)7-9(2)14/h10H,3-7H2,1-2H3
InChIKeyFHUZMMCQSDQBND-UHFFFAOYSA-N
XLogP0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one (CID 20641767) is 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CCC1CCN(CC(C)=O)C1=O.
What is the InChIKey of 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is FHUZMMCQSDQBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(13)3-4-10-5-6-12(11(10)15)7-9(2)14/h10H,3-7H2,1-2H3.
What are the key properties of 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 20641767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).