2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide

C11H20N2O2 — CID 60616692

IUPAC2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
SMILESCCC(CC)C(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-8(5-2)11(15)12-9-6-10(14)13(3)7-9/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyKRNCYLZKUVJIOK-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.77
Rot. Bonds4

About 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide

2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide (PubChem CID 60616692) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
PubChem CID60616692
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
SMILESCCC(CC)C(=O)NC1CC(=O)N(C)C1
InChIInChI=1S/C11H20N2O2/c1-4-8(5-2)11(15)12-9-6-10(14)13(3)7-9/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyKRNCYLZKUVJIOK-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide?
The IUPAC name of 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide (CID 60616692) is 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide?
The canonical SMILES for 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide is CCC(CC)C(=O)NC1CC(=O)N(C)C1.
What is the InChIKey of 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide?
The InChIKey is KRNCYLZKUVJIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-8(5-2)11(15)12-9-6-10(14)13(3)7-9/h8-9H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide?
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide has a molecular weight of 212.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide is sourced from PubChem (CID 60616692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).