4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide

C13H22N2O2 — CID 22387172

IUPAC4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide
SMILESC=C(C)CC(C(N)=O)N1CC(CCC)CC1=O
InChIInChI=1S/C13H22N2O2/c1-4-5-10-7-12(16)15(8-10)11(13(14)17)6-9(2)3/h10-11H,2,4-8H2,1,3H3,(H2,14,17)
InChIKeyGLGQVRQSPFOZBA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds6

About 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide

4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide (PubChem CID 22387172) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide.

Molecular Properties

Compound Name4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide
PubChem CID22387172
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide
SMILESC=C(C)CC(C(N)=O)N1CC(CCC)CC1=O
InChIInChI=1S/C13H22N2O2/c1-4-5-10-7-12(16)15(8-10)11(13(14)17)6-9(2)3/h10-11H,2,4-8H2,1,3H3,(H2,14,17)
InChIKeyGLGQVRQSPFOZBA-UHFFFAOYSA-N
XLogP1.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide?
The IUPAC name of 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide (CID 22387172) is 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide.
What is the SMILES notation for 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide?
The canonical SMILES for 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide is C=C(C)CC(C(N)=O)N1CC(CCC)CC1=O.
What is the InChIKey of 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide?
The InChIKey is GLGQVRQSPFOZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-5-10-7-12(16)15(8-10)11(13(14)17)6-9(2)3/h10-11H,2,4-8H2,1,3H3,(H2,14,17).
What are the key properties of 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide?
4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-oxo-4-propylpyrrolidin-1-yl)pent-4-enamide is sourced from PubChem (CID 22387172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).