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2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide

C13H21N3O2 — CID 106188898

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(9-14,6-4-2)12(18)16-10-7-11(17)15-8-10/h10H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWGIAGNHSWOCIFW-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.10
Rot. Bonds6

About 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide

2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide (PubChem CID 106188898) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide
PubChem CID106188898
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H21N3O2/c1-3-5-13(9-14,6-4-2)12(18)16-10-7-11(17)15-8-10/h10H,3-8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyWGIAGNHSWOCIFW-UHFFFAOYSA-N
XLogP1.10
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide (CID 106188898) is 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide?
The InChIKey is WGIAGNHSWOCIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-5-13(9-14,6-4-2)12(18)16-10-7-11(17)15-8-10/h10H,3-8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide?
2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-oxopyrrolidin-3-yl)-2-propylpentanamide is sourced from PubChem (CID 106188898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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