4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide

C13H19N3O3 — CID 167250256

IUPAC4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide
SMILESCC(C)(C#N)CCC(=O)NCCN1C(=O)CCC1=O
InChIInChI=1S/C13H19N3O3/c1-13(2,9-14)6-5-10(17)15-7-8-16-11(18)3-4-12(16)19/h3-8H2,1-2H3,(H,15,17)
InChIKeyODECMFIBBONYRL-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.58
Rot. Bonds6

About 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide

4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide (PubChem CID 167250256) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide
PubChem CID167250256
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide
SMILESCC(C)(C#N)CCC(=O)NCCN1C(=O)CCC1=O
InChIInChI=1S/C13H19N3O3/c1-13(2,9-14)6-5-10(17)15-7-8-16-11(18)3-4-12(16)19/h3-8H2,1-2H3,(H,15,17)
InChIKeyODECMFIBBONYRL-UHFFFAOYSA-N
XLogP0.58
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide?
The IUPAC name of 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide (CID 167250256) is 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide.
What is the SMILES notation for 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide?
The canonical SMILES for 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide is CC(C)(C#N)CCC(=O)NCCN1C(=O)CCC1=O.
What is the InChIKey of 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide?
The InChIKey is ODECMFIBBONYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-13(2,9-14)6-5-10(17)15-7-8-16-11(18)3-4-12(16)19/h3-8H2,1-2H3,(H,15,17).
What are the key properties of 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide?
4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide has a molecular weight of 265.31 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 167250256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).