N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide

C9H14N2O3 — CID 587967

IUPACN-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-5(12)10-6-7(13)9(2,3)11(4)8(6)14/h6H,1-4H3,(H,10,12)
InChIKeyCALUHEIREXWFLN-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.69
Rot. Bonds1

About N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide

N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide (PubChem CID 587967) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide
PubChem CID587967
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide
SMILESCC(=O)NC1C(=O)N(C)C(C)(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-5(12)10-6-7(13)9(2,3)11(4)8(6)14/h6H,1-4H3,(H,10,12)
InChIKeyCALUHEIREXWFLN-UHFFFAOYSA-N
XLogP-0.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide?
The IUPAC name of N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide (CID 587967) is N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide is CC(=O)NC1C(=O)N(C)C(C)(C)C1=O.
What is the InChIKey of N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide?
The InChIKey is CALUHEIREXWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(12)10-6-7(13)9(2,3)11(4)8(6)14/h6H,1-4H3,(H,10,12).
What are the key properties of N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide?
N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide has a molecular weight of 198.22 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5,5-trimethyl-2,4-dioxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 587967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).