N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide

C11H16N2O3 — CID 115281565

IUPACN-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
SMILESCC1=CC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C11H16N2O3/c1-7-5-9(15)13(10(7)16)6-8(14)12-11(2,3)4/h5H,6H2,1-4H3,(H,12,14)
InChIKeyRGGOWRWGIOXLDE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.22
Rot. Bonds2

About N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide

N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 115281565) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
PubChem CID115281565
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
SMILESCC1=CC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C11H16N2O3/c1-7-5-9(15)13(10(7)16)6-8(14)12-11(2,3)4/h5H,6H2,1-4H3,(H,12,14)
InChIKeyRGGOWRWGIOXLDE-UHFFFAOYSA-N
XLogP0.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-N-ethylacetamide
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N-(N',N'-dimethyl-beta-aminoethyl)-2-methyl-2-acrylamidopropanoic acid amide
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N-(2-amino-2-oxoethyl)-N-tert-butyl-2-methylprop-2-enamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide (CID 115281565) is N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide is CC1=CC(=O)N(CC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is RGGOWRWGIOXLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-5-9(15)13(10(7)16)6-8(14)12-11(2,3)4/h5H,6H2,1-4H3,(H,12,14).
What are the key properties of N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide?
N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.22, 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-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 115281565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).