1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

C13H16N2O3 — CID 1219935

IUPAC1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1ccco1)N1CCCC1=O
InChIInChI=1S/C13H16N2O3/c16-11-5-1-7-14(11)13(10-4-3-9-18-10)15-8-2-6-12(15)17/h3-4,9,13H,1-2,5-8H2
InChIKeyXKLPYZGOVLQXDD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds3

About 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one

1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 1219935) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
PubChem CID1219935
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(c1ccco1)N1CCCC1=O
InChIInChI=1S/C13H16N2O3/c16-11-5-1-7-14(11)13(10-4-3-9-18-10)15-8-2-6-12(15)17/h3-4,9,13H,1-2,5-8H2
InChIKeyXKLPYZGOVLQXDD-UHFFFAOYSA-N
XLogP1.52
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[bis(2-oxopyrrolidin-1-yl)methyl]phenyl]-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530475
1-[(2-chlorophenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530474
1-[1-[(E)-furan-2-ylmethylideneamino]oxyethyl]pyrrolidin-2-one
CID 177390794
1-[(2-methoxyphenyl)-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 102530470
1-[1-(furan-2-yl)ethyl]pyrrolidin-2-imine
CID 43535731
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile
CID 11323212
1-[1-(furan-2-yl)ethyl]pyrrolidin-3-one
CID 43535702
1-(1-phenylprop-2-ynyl)pyrrolidin-2-one
CID 15014551
1-(2,2,2-trifluoro-1-phenylethyl)piperidin-2-one
CID 69084296
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one (CID 1219935) is 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is O=C1CCCN1C(c1ccco1)N1CCCC1=O.
What is the InChIKey of 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is XKLPYZGOVLQXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11-5-1-7-14(11)13(10-4-3-9-18-10)15-8-2-6-12(15)17/h3-4,9,13H,1-2,5-8H2.
What are the key properties of 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one?
1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 1219935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).