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

C12H19NO3 — CID 20641775

IUPAC5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CCC1CC(C)N(CC(C)=O)C1=O
InChIInChI=1S/C12H19NO3/c1-8-6-11(5-4-9(2)14)12(16)13(8)7-10(3)15/h8,11H,4-7H2,1-3H3
InChIKeyDDAZZWDCNIWLOH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.18
Rot. Bonds5

About 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one

5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one (PubChem CID 20641775) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
PubChem CID20641775
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one
SMILESCC(=O)CCC1CC(C)N(CC(C)=O)C1=O
InChIInChI=1S/C12H19NO3/c1-8-6-11(5-4-9(2)14)12(16)13(8)7-10(3)15/h8,11H,4-7H2,1-3H3
InChIKeyDDAZZWDCNIWLOH-UHFFFAOYSA-N
XLogP1.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one (CID 20641775) is 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one is CC(=O)CCC1CC(C)N(CC(C)=O)C1=O.
What is the InChIKey of 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
The InChIKey is DDAZZWDCNIWLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-6-11(5-4-9(2)14)12(16)13(8)7-10(3)15/h8,11H,4-7H2,1-3H3.
What are the key properties of 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one?
5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-oxobutyl)-1-(2-oxopropyl)pyrrolidin-2-one is sourced from PubChem (CID 20641775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).