6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone

C13H16N2O2 — CID 127464455

IUPAC6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H16N2O2/c16-10-3-1-7-14-11(10)12(17)15-8-6-13(9-15)4-2-5-13/h1,3,7,16H,2,4-6,8-9H2
InChIKeyQHSMJOVHWFHHLP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.80
Rot. Bonds1

About 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone

6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 127464455) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone
PubChem CID127464455
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H16N2O2/c16-10-3-1-7-14-11(10)12(17)15-8-6-13(9-15)4-2-5-13/h1,3,7,16H,2,4-6,8-9H2
InChIKeyQHSMJOVHWFHHLP-UHFFFAOYSA-N
XLogP1.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone (CID 127464455) is 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is QHSMJOVHWFHHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-10-3-1-7-14-11(10)12(17)15-8-6-13(9-15)4-2-5-13/h1,3,7,16H,2,4-6,8-9H2.
What are the key properties of 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone?
6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 232.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 127464455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).