[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

C21H27FN2O3 — CID 95344940

About [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone

[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 95344940) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
• PubChem CID: 95344940
• Molecular Formula: C21H27FN2O3
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.20
• IUPAC Name: [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
• SMILES: Cc1c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)oc2ccc(F)cc12
• InChI: InChI=1S/C21H27FN2O3/c1-13-10-23(11-14(2)26-13)12-17-5-4-8-24(17)21(25)20-15(3)18-9-16(22)6-7-19(18)27-20/h6-7,9,13-14,17H,4-5,8,10-12H2,1-3H3/t13-,14-,17-/m1/s1
• InChIKey: WVINQSZSEABRHI-CKEIUWERSA-N
• XLogP: 3.59
• TPSA: 45.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.46
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?

The IUPAC name of [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone (CID 95344940) is [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone.

What is the SMILES notation for [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?

The canonical SMILES for [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)oc2ccc(F)cc12.

What is the InChIKey of [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?

The InChIKey is WVINQSZSEABRHI-CKEIUWERSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-13-10-23(11-14(2)26-13)12-17-5-4-8-24(17)21(25)20-15(3)18-9-16(22)6-7-19(18)27-20/h6-7,9,13-14,17H,4-5,8,10-12H2,1-3H3/t13-,14-,17-/m1/s1.

What are the key properties of [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone?

[(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 374.46 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 95344940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).