[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone

C20H24N2O3 — CID 97384312

IUPAC[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(19-7-4-12-25-19)22-9-8-17(21-10-13-24-14-11-21)18(22)15-16-5-2-1-3-6-16/h1-7,12,17-18H,8-11,13-15H2/t17-,18+/m1/s1
InChIKeyKEIAYLHUHFLRMK-MSOLQXFVSA-N
MW340.42 g/mol
LogP2.44
Rot. Bonds4

About [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone

[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 97384312) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID97384312
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c23-20(19-7-4-12-25-19)22-9-8-17(21-10-13-24-14-11-21)18(22)15-16-5-2-1-3-6-16/h1-7,12,17-18H,8-11,13-15H2/t17-,18+/m1/s1
InChIKeyKEIAYLHUHFLRMK-MSOLQXFVSA-N
XLogP2.44
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97471088
furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611
furan-2-yl-[(2R,3R)-2-[(1-methylpyrazol-4-yl)methyl]-3-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 125215138
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 124806862
[(2R,3S)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124792962
[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(furan-2-yl)methanone
CID 97459000
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 102787065
(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
CID 51966665
furan-2-yl-[(5S)-5-(oxan-4-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
CID 134690207
N-[(2S,3R)-1-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97471100
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97470905
[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95591260

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone (CID 97384312) is [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KEIAYLHUHFLRMK-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(19-7-4-12-25-19)22-9-8-17(21-10-13-24-14-11-21)18(22)15-16-5-2-1-3-6-16/h1-7,12,17-18H,8-11,13-15H2/t17-,18+/m1/s1.
What are the key properties of [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone?
[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 97384312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).