1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

C18H22N2O3 — CID 97256064

IUPAC1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C18H22N2O3/c1-3-14-8-7-13(2)20(14)18(22)16-10-9-15(23-16)12-19-11-5-4-6-17(19)21/h4-6,9-11,13-14H,3,7-8,12H2,1-2H3/t13-,14+/m1/s1
InChIKeyQVRABDNBGBIEPU-KGLIPLIRSA-N
MW314.38 g/mol
LogP2.89
Rot. Bonds4

About 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (PubChem CID 97256064) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
PubChem CID97256064
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1
InChIInChI=1S/C18H22N2O3/c1-3-14-8-7-13(2)20(14)18(22)16-10-9-15(23-16)12-19-11-5-4-6-17(19)21/h4-6,9-11,13-14H,3,7-8,12H2,1-2H3/t13-,14+/m1/s1
InChIKeyQVRABDNBGBIEPU-KGLIPLIRSA-N
XLogP2.89
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (CID 97256064) is 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is CC[C@H]1CC[C@@H](C)N1C(=O)c1ccc(Cn2ccccc2=O)o1.
What is the InChIKey of 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The InChIKey is QVRABDNBGBIEPU-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-14-8-7-13(2)20(14)18(22)16-10-9-15(23-16)12-19-11-5-4-6-17(19)21/h4-6,9-11,13-14H,3,7-8,12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one has a molecular weight of 314.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 97256064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).