[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone

C18H21NO3 — CID 74243056

IUPAC[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone
SMILESCOC[C@H]1CCCN1C(=O)c1cc(C)oc1-c1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-11-16(17(22-13)14-7-4-3-5-8-14)18(20)19-10-6-9-15(19)12-21-2/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyZLYOXQXEGGCZES-OAHLLOKOSA-N
MW299.37 g/mol
LogP3.51
Rot. Bonds4

About [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone

[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone (PubChem CID 74243056) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone
PubChem CID74243056
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone
SMILESCOC[C@H]1CCCN1C(=O)c1cc(C)oc1-c1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-11-16(17(22-13)14-7-4-3-5-8-14)18(20)19-10-6-9-15(19)12-21-2/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3/t15-/m1/s1
InChIKeyZLYOXQXEGGCZES-OAHLLOKOSA-N
XLogP3.51
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone?
The IUPAC name of [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone (CID 74243056) is [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone?
The canonical SMILES for [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone is COC[C@H]1CCCN1C(=O)c1cc(C)oc1-c1ccccc1.
What is the InChIKey of [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone?
The InChIKey is ZLYOXQXEGGCZES-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-11-16(17(22-13)14-7-4-3-5-8-14)18(20)19-10-6-9-15(19)12-21-2/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone?
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-2-phenylfuran-3-yl)methanone is sourced from PubChem (CID 74243056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).