2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile

C14H13N3O3 — CID 11323212

IUPAC2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile
SMILESN#CC(C#N)[C@@H](CC(=O)N1CCCC1=O)c1ccco1
InChIInChI=1S/C14H13N3O3/c15-8-10(9-16)11(12-3-2-6-20-12)7-14(19)17-5-1-4-13(17)18/h2-3,6,10-11H,1,4-5,7H2/t11-/m1/s1
InChIKeyAVEIMAINHOLSCK-LLVKDONJSA-N
MW271.28 g/mol
LogP1.57
Rot. Bonds4

About 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile

2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile (PubChem CID 11323212) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile.

Molecular Properties

Compound Name2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile
PubChem CID11323212
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile
SMILESN#CC(C#N)[C@@H](CC(=O)N1CCCC1=O)c1ccco1
InChIInChI=1S/C14H13N3O3/c15-8-10(9-16)11(12-3-2-6-20-12)7-14(19)17-5-1-4-13(17)18/h2-3,6,10-11H,1,4-5,7H2/t11-/m1/s1
InChIKeyAVEIMAINHOLSCK-LLVKDONJSA-N
XLogP1.57
TPSA98.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile with MolForge

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Related Compounds

ethyl 4,4-dicyano-3-(furan-2-yl)butanoate
CID 11020747
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
1-[furan-2-yl-(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 1219935
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
2-[3-(furan-2-yl)-3-oxo-1-thiophen-2-ylpropyl]propanedinitrile
CID 14950540
1-[4-fluoro-3-(4-fluoroanilino)butanoyl]pyrrolidin-2-one
CID 135063478
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoic acid
CID 1418161
(2R)-3-(furan-2-yl)-2-[hydroxy-[(2-oxopyrrolidin-1-yl)methyl]phosphoryl]propanoate
CID 6985209
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 4-cyanobenzoate
CID 2628809
N-[(1R)-1-(furan-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9482225
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
CID 101320219

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile?
The IUPAC name of 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile (CID 11323212) is 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile.
What is the SMILES notation for 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile?
The canonical SMILES for 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile is N#CC(C#N)[C@@H](CC(=O)N1CCCC1=O)c1ccco1.
What is the InChIKey of 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile?
The InChIKey is AVEIMAINHOLSCK-LLVKDONJSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-8-10(9-16)11(12-3-2-6-20-12)7-14(19)17-5-1-4-13(17)18/h2-3,6,10-11H,1,4-5,7H2/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile?
2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile has a molecular weight of 271.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile is sourced from PubChem (CID 11323212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).