(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one

C17H24N2O4 — CID 100802952

IUPAC(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H](C)O[C@@H](C)C2)o1
InChIInChI=1S/C17H24N2O4/c1-11-4-5-14(23-11)10-19-15(6-7-16(19)20)17(21)18-8-12(2)22-13(3)9-18/h4-5,12-13,15H,6-10H2,1-3H3/t12-,13-,15+/m0/s1
InChIKeyHEGLOHHCEISNHK-KCQAQPDRSA-N
MW320.39 g/mol
LogP1.71
Rot. Bonds3

About (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one

(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one (PubChem CID 100802952) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
PubChem CID100802952
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H](C)O[C@@H](C)C2)o1
InChIInChI=1S/C17H24N2O4/c1-11-4-5-14(23-11)10-19-15(6-7-16(19)20)17(21)18-8-12(2)22-13(3)9-18/h4-5,12-13,15H,6-10H2,1-3H3/t12-,13-,15+/m0/s1
InChIKeyHEGLOHHCEISNHK-KCQAQPDRSA-N
XLogP1.71
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(5R)-5-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one
CID 95739483
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
1-[(5-methylfuran-2-yl)methyl]-5-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 71688598
(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 95739163
(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 95739109
(2S)-N-cyclopropyl-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739460
(2S)-1-[(5-methylfuran-2-yl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 95739154
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 95739502
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(2R)-N-(1-ethylpyrazol-4-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739435
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(5-methylfuran-2-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95739433
(2S)-1-[(5-methylfuran-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 95739472

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one (CID 100802952) is (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one is Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2C[C@H](C)O[C@@H](C)C2)o1.
What is the InChIKey of (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is HEGLOHHCEISNHK-KCQAQPDRSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-4-5-14(23-11)10-19-15(6-7-16(19)20)17(21)18-8-12(2)22-13(3)9-18/h4-5,12-13,15H,6-10H2,1-3H3/t12-,13-,15+/m0/s1.
What are the key properties of (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one?
(5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 100802952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).