[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone

C20H24N2O3 — CID 97082294

IUPAC[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C20H24N2O3/c23-20(22-10-4-8-17(22)18-9-5-12-24-18)19-15-21(11-13-25-19)14-16-6-2-1-3-7-16/h1-3,5-7,9,12,17,19H,4,8,10-11,13-15H2/t17-,19+/m1/s1
InChIKeyQMEDXDGNYGBIGM-MJGOQNOKSA-N
MW340.42 g/mol
LogP2.84
Rot. Bonds4

About [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone

[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 97082294) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID97082294
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C20H24N2O3/c23-20(22-10-4-8-17(22)18-9-5-12-24-18)19-15-21(11-13-25-19)14-16-6-2-1-3-7-16/h1-3,5-7,9,12,17,19H,4,8,10-11,13-15H2/t17-,19+/m1/s1
InChIKeyQMEDXDGNYGBIGM-MJGOQNOKSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone (CID 97082294) is [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone is O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QMEDXDGNYGBIGM-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(22-10-4-8-17(22)18-9-5-12-24-18)19-15-21(11-13-25-19)14-16-6-2-1-3-7-16/h1-3,5-7,9,12,17,19H,4,8,10-11,13-15H2/t17-,19+/m1/s1.
What are the key properties of [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone?
[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 340.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97082294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).