[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate

C16H16N2O5 — CID 140834002

IUPAC[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccncc2)C1=O
InChIInChI=1S/C16H16N2O5/c1-10(19)22-13-14(21)16(2,11-5-7-17-8-6-11)23-15(13)18-9-3-4-12(18)20/h5-8H,3-4,9H2,1-2H3
InChIKeyKHCGHMOYAUCVFQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.25
Rot. Bonds3

About [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate

[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate (PubChem CID 140834002) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate.

Molecular Properties

Compound Name[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate
PubChem CID140834002
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate
SMILESCC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccncc2)C1=O
InChIInChI=1S/C16H16N2O5/c1-10(19)22-13-14(21)16(2,11-5-7-17-8-6-11)23-15(13)18-9-3-4-12(18)20/h5-8H,3-4,9H2,1-2H3
InChIKeyKHCGHMOYAUCVFQ-UHFFFAOYSA-N
XLogP1.25
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(2,6-difluorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834378
1-[5-(2,3-dichlorophenyl)-3-hydroxy-5-methyl-4-oxofuran-2-yl]pyrrolidin-2-one
CID 140834026
[5-(4-chloro-3-fluorophenyl)-4-hydroxy-2-(2-oxopyrrolidin-1-yl)furan-3-yl] acetate
CID 90082090
(3-methyl-2-pyridin-4-yl-1,3-oxazinan-2-yl)-phenylmethanone
CID 10989683
[2-amino-5-(2,3-difluorophenyl)-5-methyl-4-oxofuran-3-yl] acetate
CID 140834024
1-[3-(2-oxopyrrolidin-1-yl)-5-(4-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 172517099
3-(2-oxopyrrolidin-1-yl)-N-pyridin-4-ylbenzamide
CID 51251631
[2-(oxiran-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)phenyl] acetate
CID 88725078
[2-[[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl] acetate
CID 7686963
2-(2-oxopiperidin-1-yl)-2-pyridin-4-ylpropanoic acid
CID 114989853
1-[2,6-difluoro-4-(2-hydroxy-3-pyridin-4-ylphenyl)phenyl]pyrrolidin-2-one
CID 166167104
[4-(2-oxopyrrolidin-1-yl)phenyl] 2-phenoxypyridine-3-carboxylate
CID 51110358

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate?
The IUPAC name of [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate (CID 140834002) is [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate.
What is the SMILES notation for [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate?
The canonical SMILES for [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate is CC(=O)OC1=C(N2CCCC2=O)OC(C)(c2ccncc2)C1=O.
What is the InChIKey of [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate?
The InChIKey is KHCGHMOYAUCVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-10(19)22-13-14(21)16(2,11-5-7-17-8-6-11)23-15(13)18-9-3-4-12(18)20/h5-8H,3-4,9H2,1-2H3.
What are the key properties of [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate?
[5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate has a molecular weight of 316.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-oxo-2-(2-oxopyrrolidin-1-yl)-5-pyridin-4-ylfuran-3-yl] acetate is sourced from PubChem (CID 140834002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).