3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one

C9H13NO5 — CID 14779022

IUPAC3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
SMILESO=C1C(O)CC(O)N1C1OCC=C1CO
InChIInChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2
InChIKeyUQDNRNARHGVYKC-UHFFFAOYSA-N
MW215.20 g/mol
LogP-1.83
Rot. Bonds2

About 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one

3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one (PubChem CID 14779022) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
PubChem CID14779022
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
SMILESO=C1C(O)CC(O)N1C1OCC=C1CO
InChIInChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2
InChIKeyUQDNRNARHGVYKC-UHFFFAOYSA-N
XLogP-1.83
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-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
3-Hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
CID 85085745

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one (CID 14779022) is 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one is O=C1C(O)CC(O)N1C1OCC=C1CO.
What is the InChIKey of 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
The InChIKey is UQDNRNARHGVYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2.
What are the key properties of 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one has a molecular weight of 215.20 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 14779022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).