[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone

C16H22N2O4 — CID 100850284

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C[C@H](C)O1
InChIInChI=1S/C16H22N2O4/c1-11-9-17(10-12(2)22-11)15(19)13-5-3-7-18(13)16(20)14-6-4-8-21-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyVJPQRPWRKHIOMM-FRRDWIJNSA-N
MW306.36 g/mol
LogP1.52
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 100850284) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID100850284
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C[C@H](C)O1
InChIInChI=1S/C16H22N2O4/c1-11-9-17(10-12(2)22-11)15(19)13-5-3-7-18(13)16(20)14-6-4-8-21-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyVJPQRPWRKHIOMM-FRRDWIJNSA-N
XLogP1.52
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(2S)-1-(2-hydroxybenzoyl)pyrrolidin-2-yl]methanone
CID 94011491
2-azaspiro[4.5]decan-2-yl-[(2S)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 71929615
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55674739
1-[4-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 86876183
[1-(furan-2-carbonyl)pyrrolidin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51263192
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119484214
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
(4-benzylpiperazin-1-yl)-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55973734
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone
CID 55460818
N-(2-aminoethyl)-1-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperidine-3-carboxamide
CID 119480055
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone (CID 100850284) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone is C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccco2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is VJPQRPWRKHIOMM-FRRDWIJNSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-9-17(10-12(2)22-11)15(19)13-5-3-7-18(13)16(20)14-6-4-8-21-14/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 306.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 100850284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).