(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

C16H22N2O4 — CID 94053953

IUPAC(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@H](C)CO1
InChIInChI=1S/C16H22N2O4/c1-11-10-22-12(2)7-18(11)16(20)13-6-15(19)17(8-13)9-14-4-3-5-21-14/h3-5,11-13H,6-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyPMGVUFVAQKWCBK-JHJVBQTASA-N
MW306.36 g/mol
LogP1.26
Rot. Bonds3

About (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 94053953) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
PubChem CID94053953
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@H](C)CO1
InChIInChI=1S/C16H22N2O4/c1-11-10-22-12(2)7-18(11)16(20)13-6-15(19)17(8-13)9-14-4-3-5-21-14/h3-5,11-13H,6-10H2,1-2H3/t11-,12-,13-/m1/s1
InChIKeyPMGVUFVAQKWCBK-JHJVBQTASA-N
XLogP1.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one with MolForge

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Related Compounds

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
(4S)-4-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 100844938
(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 95239410
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
(3R)-4-[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125119389
(4S)-4-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100909787
1-(furan-2-ylmethyl)-4-[3-(2-oxopropyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 75455492
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-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55619923

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 94053953) is (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[C@H](C)CO1.
What is the InChIKey of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is PMGVUFVAQKWCBK-JHJVBQTASA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-10-22-12(2)7-18(11)16(20)13-6-15(19)17(8-13)9-14-4-3-5-21-14/h3-5,11-13H,6-10H2,1-2H3/t11-,12-,13-/m1/s1.
What are the key properties of (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 306.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 94053953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).