5,5-diethyl-1-propanoylpyrrolidin-2-one

C11H19NO2 — CID 18325720

IUPAC5,5-diethyl-1-propanoylpyrrolidin-2-one
SMILESCCC(=O)N1C(=O)CCC1(CC)CC
InChIInChI=1S/C11H19NO2/c1-4-9(13)12-10(14)7-8-11(12,5-2)6-3/h4-8H2,1-3H3
InChIKeyDBFNAEFFFMOVHC-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.10
Rot. Bonds3

About 5,5-diethyl-1-propanoylpyrrolidin-2-one

5,5-diethyl-1-propanoylpyrrolidin-2-one (PubChem CID 18325720) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 5,5-diethyl-1-propanoylpyrrolidin-2-one.

Molecular Properties

Compound Name5,5-diethyl-1-propanoylpyrrolidin-2-one
PubChem CID18325720
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name5,5-diethyl-1-propanoylpyrrolidin-2-one
SMILESCCC(=O)N1C(=O)CCC1(CC)CC
InChIInChI=1S/C11H19NO2/c1-4-9(13)12-10(14)7-8-11(12,5-2)6-3/h4-8H2,1-3H3
InChIKeyDBFNAEFFFMOVHC-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-propanoylpyrrolidin-2-one?
The IUPAC name of 5,5-diethyl-1-propanoylpyrrolidin-2-one (CID 18325720) is 5,5-diethyl-1-propanoylpyrrolidin-2-one.
What is the SMILES notation for 5,5-diethyl-1-propanoylpyrrolidin-2-one?
The canonical SMILES for 5,5-diethyl-1-propanoylpyrrolidin-2-one is CCC(=O)N1C(=O)CCC1(CC)CC.
What is the InChIKey of 5,5-diethyl-1-propanoylpyrrolidin-2-one?
The InChIKey is DBFNAEFFFMOVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-9(13)12-10(14)7-8-11(12,5-2)6-3/h4-8H2,1-3H3.
What are the key properties of 5,5-diethyl-1-propanoylpyrrolidin-2-one?
5,5-diethyl-1-propanoylpyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-propanoylpyrrolidin-2-one is sourced from PubChem (CID 18325720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).