2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide

C11H12N2O4 — CID 17034773

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCc1ccco1
InChIInChI=1S/C11H12N2O4/c14-9(12-6-8-2-1-5-17-8)7-13-10(15)3-4-11(13)16/h1-2,5H,3-4,6-7H2,(H,12,14)
InChIKeyVYXPPGOEAUTUKV-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.04
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 17034773) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID17034773
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)NCc1ccco1
InChIInChI=1S/C11H12N2O4/c14-9(12-6-8-2-1-5-17-8)7-13-10(15)3-4-11(13)16/h1-2,5H,3-4,6-7H2,(H,12,14)
InChIKeyVYXPPGOEAUTUKV-UHFFFAOYSA-N
XLogP0.04
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 7272858
N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928856
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 124536568
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
2-(6-ethyl-2-oxothieno[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 20974369
2-(6,7-difluoro-2-oxo-3,4-dihydroquinoxalin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 94765439
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-(furan-2-ylmethyl)acetamide
CID 2702853
2-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 34241212
N-(furan-2-ylmethyl)-2-[(2S)-2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide
CID 51409437
2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618280

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 17034773) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide is O=C(CN1C(=O)CCC1=O)NCc1ccco1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VYXPPGOEAUTUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-9(12-6-8-2-1-5-17-8)7-13-10(15)3-4-11(13)16/h1-2,5H,3-4,6-7H2,(H,12,14).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 236.23 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 17034773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).