1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione

C11H13NO3 — CID 79516755

IUPAC1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione
SMILESCc1ccc(C(C)N2CC(=O)CC2=O)o1
InChIInChI=1S/C11H13NO3/c1-7-3-4-10(15-7)8(2)12-6-9(13)5-11(12)14/h3-4,8H,5-6H2,1-2H3
InChIKeyWUSXTWUXYLREHE-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.45
Rot. Bonds2

About 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione

1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione (PubChem CID 79516755) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione
PubChem CID79516755
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione
SMILESCc1ccc(C(C)N2CC(=O)CC2=O)o1
InChIInChI=1S/C11H13NO3/c1-7-3-4-10(15-7)8(2)12-6-9(13)5-11(12)14/h3-4,8H,5-6H2,1-2H3
InChIKeyWUSXTWUXYLREHE-UHFFFAOYSA-N
XLogP1.45
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
CID 79776757
4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione
CID 63788723
1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione
CID 79778117
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione
CID 60977281
3-ethyl-3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 64965581
1-(3-methylpentan-2-yl)pyrrolidine-2,4-dione
CID 79515224
2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62303074
9-[1-(5-methylfuran-2-yl)ethyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 115947250
3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965627
ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
CID 142243326

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione (CID 79516755) is 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione is Cc1ccc(C(C)N2CC(=O)CC2=O)o1.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione?
The InChIKey is WUSXTWUXYLREHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-7-3-4-10(15-7)8(2)12-6-9(13)5-11(12)14/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione?
1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione has a molecular weight of 207.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione is sourced from PubChem (CID 79516755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).