3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide

C10H14N2O3 — CID 106096968

IUPAC3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
SMILESCC1=CC(=O)N(C(C)(C)CC(N)=O)C1=O
InChIInChI=1S/C10H14N2O3/c1-6-4-8(14)12(9(6)15)10(2,3)5-7(11)13/h4H,5H2,1-3H3,(H2,11,13)
InChIKeyGBYSKWRLCBZZCW-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.04
Rot. Bonds3

About 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide

3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide (PubChem CID 106096968) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide.

Molecular Properties

Compound Name3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
PubChem CID106096968
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
SMILESCC1=CC(=O)N(C(C)(C)CC(N)=O)C1=O
InChIInChI=1S/C10H14N2O3/c1-6-4-8(14)12(9(6)15)10(2,3)5-7(11)13/h4H,5H2,1-3H3,(H2,11,13)
InChIKeyGBYSKWRLCBZZCW-UHFFFAOYSA-N
XLogP-0.04
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.04
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

3-methyl-1-[2-methyl-4-(2-methyl-3-oxopent-4-en-2-yl)oxybutan-2-yl]pyrrole-2,5-dione
CID 144745833
4-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide
CID 60864499
3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
CID 106098925
N-tert-butyl-2-(3-methyl-2,5-dioxopyrrol-1-yl)acetamide
CID 115281565
3-methyl-1-(2-oxopropyl)pyrrole-2,5-dione
CID 20692340
1-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methylpyrrole-2,5-dione
CID 106246369
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
CID 129224231
1-methoxy-3-methylpyrrole-2,5-dione
CID 142001588
3-methyl-3-(3-oxo-8-azabicyclo[3.2.1]octan-8-yl)butanamide
CID 106098520
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3-methyl-1-[7-(3-methyl-2,5-dioxopyrrol-1-yl)-2,6-dioxoheptyl]pyrrole-2,5-dione
CID 58898523
3-[5-(chloromethyl)imidazol-1-yl]-3-methylbutanamide
CID 106098629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
The IUPAC name of 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide (CID 106096968) is 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide.
What is the SMILES notation for 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
The canonical SMILES for 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide is CC1=CC(=O)N(C(C)(C)CC(N)=O)C1=O.
What is the InChIKey of 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
The InChIKey is GBYSKWRLCBZZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-4-8(14)12(9(6)15)10(2,3)5-7(11)13/h4H,5H2,1-3H3,(H2,11,13).
What are the key properties of 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide?
3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide has a molecular weight of 210.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)butanamide is sourced from PubChem (CID 106096968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).