N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C10H16N2O3 — CID 5300289

IUPACN-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O3/c1-10(2,3)11-7(13)6-12-8(14)4-5-9(12)15/h4-6H2,1-3H3,(H,11,13)
InChIKeyAKKGPIRBWXITFW-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.05
Rot. Bonds2

About N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 5300289) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID5300289
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C10H16N2O3/c1-10(2,3)11-7(13)6-12-8(14)4-5-9(12)15/h4-6H2,1-3H3,(H,11,13)
InChIKeyAKKGPIRBWXITFW-UHFFFAOYSA-N
XLogP0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 5300289) is N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide is CC(C)(C)NC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is AKKGPIRBWXITFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2,3)11-7(13)6-12-8(14)4-5-9(12)15/h4-6H2,1-3H3,(H,11,13).
What are the key properties of N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 5300289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).