(3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

C10H15NO4 — CID 102132410

IUPAC(3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
SMILESCO[C@@H]1C[C@H](O)C(=O)N1C1OCC=C1C
InChIInChI=1S/C10H15NO4/c1-6-3-4-15-10(6)11-8(14-2)5-7(12)9(11)13/h3,7-8,10,12H,4-5H2,1-2H3/t7-,8+,10?/m0/s1
InChIKeyWEIIIOYFFMOYSL-VLCSVPMDSA-N
MW213.23 g/mol
LogP-0.15
Rot. Bonds2

About (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

(3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one (PubChem CID 102132410) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
PubChem CID102132410
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
SMILESCO[C@@H]1C[C@H](O)C(=O)N1C1OCC=C1C
InChIInChI=1S/C10H15NO4/c1-6-3-4-15-10(6)11-8(14-2)5-7(12)9(11)13/h3,7-8,10,12H,4-5H2,1-2H3/t7-,8+,10?/m0/s1
InChIKeyWEIIIOYFFMOYSL-VLCSVPMDSA-N
XLogP-0.15
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,9S,11R)-11-hydroxy-3,8-dioxa-1-azatricyclo[7.3.0.02,6]dodec-5-en-12-one
CID 9990289
(3R,5R)-3-hydroxy-1-[(2R)-3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
CID 9991407
(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
CID 14779023
(3R,5R)-3,5-dihydroxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 14779025
(3R,5R)-5-hydroxy-3-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 101588713
(3R,5R)-3,5-dihydroxy-1-[(2R)-3-methyl-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
CID 131156005
(3R,5R)-3-hydroxy-5-methoxy-1-[(2R)-3-methyl-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
CID 162915349
(3R,5R)-3,5-dihydroxy-1-[(2R)-3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
CID 162926368
3,5-Dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
CID 14779022
3,5-Dihydroxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 14779024
3-Hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one
CID 14779026
11-Hydroxy-3,8-dioxa-1-azatricyclo[7.3.0.02,6]dodec-5-en-12-one
CID 85085459

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
The IUPAC name of (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one (CID 102132410) is (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
The canonical SMILES for (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one is CO[C@@H]1C[C@H](O)C(=O)N1C1OCC=C1C.
What is the InChIKey of (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
The InChIKey is WEIIIOYFFMOYSL-VLCSVPMDSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6-3-4-15-10(6)11-8(14-2)5-7(12)9(11)13/h3,7-8,10,12H,4-5H2,1-2H3/t7-,8+,10?/m0/s1.
What are the key properties of (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one?
(3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one has a molecular weight of 213.23 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 102132410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).