6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C15H18N2O2 — CID 95124215

IUPAC6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1[C@H]1COC2(CCCC2)C1
InChIInChI=1S/C15H18N2O2/c18-14-12-4-3-7-16-13(12)9-17(14)11-8-15(19-10-11)5-1-2-6-15/h3-4,7,11H,1-2,5-6,8-10H2/t11-/m1/s1
InChIKeyOMIWBOKIMNQVST-LLVKDONJSA-N
MW258.32 g/mol
LogP2.14
Rot. Bonds1

About 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 95124215) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID95124215
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1[C@H]1COC2(CCCC2)C1
InChIInChI=1S/C15H18N2O2/c18-14-12-4-3-7-16-13(12)9-17(14)11-8-15(19-10-11)5-1-2-6-15/h3-4,7,11H,1-2,5-6,8-10H2/t11-/m1/s1
InChIKeyOMIWBOKIMNQVST-LLVKDONJSA-N
XLogP2.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 95124215) is 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1[C@H]1COC2(CCCC2)C1.
What is the InChIKey of 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is OMIWBOKIMNQVST-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-12-4-3-7-16-13(12)9-17(14)11-8-15(19-10-11)5-1-2-6-15/h3-4,7,11H,1-2,5-6,8-10H2/t11-/m1/s1.
What are the key properties of 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 258.32 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 95124215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).