3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one

C11H18N2O2 — CID 102681689

IUPAC3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCCC2CNCC21
InChIInChI=1S/C11H18N2O2/c14-11-9(3-5-15-11)13-4-1-2-8-6-12-7-10(8)13/h8-10,12H,1-7H2
InChIKeyXYWOBBWSZLPWBV-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.01
Rot. Bonds1

About 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one

3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one (PubChem CID 102681689) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one
PubChem CID102681689
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one
SMILESO=C1OCCC1N1CCCC2CNCC21
InChIInChI=1S/C11H18N2O2/c14-11-9(3-5-15-11)13-4-1-2-8-6-12-7-10(8)13/h8-10,12H,1-7H2
InChIKeyXYWOBBWSZLPWBV-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one?
The IUPAC name of 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one (CID 102681689) is 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one?
The canonical SMILES for 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one is O=C1OCCC1N1CCCC2CNCC21.
What is the InChIKey of 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one?
The InChIKey is XYWOBBWSZLPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-11-9(3-5-15-11)13-4-1-2-8-6-12-7-10(8)13/h8-10,12H,1-7H2.
What are the key properties of 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one?
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one has a molecular weight of 210.28 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)oxolan-2-one is sourced from PubChem (CID 102681689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).