6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone

C13H20N2O — CID 114409039

IUPAC6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC12CCNCC2)N1CC=CCC1
InChIInChI=1S/C13H20N2O/c16-12(15-8-2-1-3-9-15)11-10-13(11)4-6-14-7-5-13/h1-2,11,14H,3-10H2
InChIKeyIHMYCJVSLAUPGA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.16
Rot. Bonds1

About 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone

6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 114409039) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID114409039
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC12CCNCC2)N1CC=CCC1
InChIInChI=1S/C13H20N2O/c16-12(15-8-2-1-3-9-15)11-10-13(11)4-6-14-7-5-13/h1-2,11,14H,3-10H2
InChIKeyIHMYCJVSLAUPGA-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 114409039) is 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CC12CCNCC2)N1CC=CCC1.
What is the InChIKey of 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is IHMYCJVSLAUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-12(15-8-2-1-3-9-15)11-10-13(11)4-6-14-7-5-13/h1-2,11,14H,3-10H2.
What are the key properties of 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone?
6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[2.5]octan-2-yl(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 114409039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).