(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one

C17H24N2O4 — CID 95239410

IUPAC(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESC[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1
InChIInChI=1S/C17H24N2O4/c1-12-8-19(11-17(2,3)23-12)16(21)13-7-15(20)18(9-13)10-14-5-4-6-22-14/h4-6,12-13H,7-11H2,1-3H3/t12-,13-/m0/s1
InChIKeySMGZTTVPADQIOI-STQMWFEESA-N
MW320.39 g/mol
LogP1.65
Rot. Bonds3

About (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one

(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one (PubChem CID 95239410) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one
PubChem CID95239410
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one
SMILESC[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1
InChIInChI=1S/C17H24N2O4/c1-12-8-19(11-17(2,3)23-12)16(21)13-7-15(20)18(9-13)10-14-5-4-6-22-14/h4-6,12-13H,7-11H2,1-3H3/t12-,13-/m0/s1
InChIKeySMGZTTVPADQIOI-STQMWFEESA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256642
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 94053953
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55619923
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
6-[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137350
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
4-(2,4-dimethylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 71877105
(4S)-4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100892241
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one (CID 95239410) is (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one is C[C@H]1CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CC(C)(C)O1.
What is the InChIKey of (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is SMGZTTVPADQIOI-STQMWFEESA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-8-19(11-17(2,3)23-12)16(21)13-7-15(20)18(9-13)10-14-5-4-6-22-14/h4-6,12-13H,7-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one?
(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).