1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one

C12H15NO4S — CID 168702945

IUPAC1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1CCc1scc2c1OCCO2
InChIInChI=1S/C12H15NO4S/c14-8-5-11(15)13(6-8)2-1-10-12-9(7-18-10)16-3-4-17-12/h7-8,14H,1-6H2
InChIKeyJRANPFXRLFFXNC-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.65
Rot. Bonds3

About 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one

1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702945) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702945
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1CCc1scc2c1OCCO2
InChIInChI=1S/C12H15NO4S/c14-8-5-11(15)13(6-8)2-1-10-12-9(7-18-10)16-3-4-17-12/h7-8,14H,1-6H2
InChIKeyJRANPFXRLFFXNC-UHFFFAOYSA-N
XLogP0.65
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one with MolForge

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Related Compounds

S-[[1-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667788
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264
1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702055
4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168702349
1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836
4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
CID 168702984
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide
CID 3052160
4-hydroxy-1-(2-thiomorpholin-4-ylethyl)pyrrolidin-2-one
CID 106326869
4-hydroxy-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168702894
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702309
1-[2-(2,3-dihydroindol-1-yl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702898

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one (CID 168702945) is 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1CCc1scc2c1OCCO2.
What is the InChIKey of 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is JRANPFXRLFFXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c14-8-5-11(15)13(6-8)2-1-10-12-9(7-18-10)16-3-4-17-12/h7-8,14H,1-6H2.
What are the key properties of 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one?
1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 269.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).