3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione

C11H13NO3 — CID 43155390

IUPAC3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(C2(C)CC(=O)NC2=O)c(C)o1
InChIInChI=1S/C11H13NO3/c1-6-4-8(7(2)15-6)11(3)5-9(13)12-10(11)14/h4H,5H2,1-3H3,(H,12,13,14)
InChIKeyQMGXNMDRJKQWBC-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.20
Rot. Bonds1

About 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione

3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione (PubChem CID 43155390) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione
PubChem CID43155390
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione
SMILESCc1cc(C2(C)CC(=O)NC2=O)c(C)o1
InChIInChI=1S/C11H13NO3/c1-6-4-8(7(2)15-6)11(3)5-9(13)12-10(11)14/h4H,5H2,1-3H3,(H,12,13,14)
InChIKeyQMGXNMDRJKQWBC-UHFFFAOYSA-N
XLogP1.20
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.20
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-(2-methoxy-5-methylphenyl)-3-methylpyrrolidine-2,5-dione
CID 43155388
(5S)-5-(2,5-dimethylfuran-3-yl)-3,5-dimethylimidazolidine-2,4-dione
CID 95692133
3-methyl-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
CID 584279
3-methyl-3-pyridin-2-ylpyrrolidine-2,5-dione
CID 43155363
[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)phenyl] acetate
CID 6429786
3-(3-chloro-4-fluorophenyl)-3-methylpyrrolidine-2,5-dione
CID 43155382
3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325
3-methyl-3-sulfanylpyrrolidine-2,5-dione
CID 159261890
3-[3-(difluoromethoxy)phenyl]-3-methylpyrrolidine-2,5-dione
CID 43332655
2,5,5-trimethyl-4H-cyclopenta[b]furan-6-one
CID 112714246
3,7-dimethylpyrano[4,3-c]pyran-1,5-dione
CID 58212109
N-[[2-(2,5-dimethylfuran-3-yl)-2-methylcyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713891

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione (CID 43155390) is 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione is Cc1cc(C2(C)CC(=O)NC2=O)c(C)o1.
What is the InChIKey of 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is QMGXNMDRJKQWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6-4-8(7(2)15-6)11(3)5-9(13)12-10(11)14/h4H,5H2,1-3H3,(H,12,13,14).
What are the key properties of 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione?
3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 207.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylfuran-3-yl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 43155390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).