1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one

C18H25NO2 — CID 105118669

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25NO2/c20-17(5-4-15-6-11-19-12-7-15)16-8-13-21-18(14-16)9-2-1-3-10-18/h6-7,11-12,16H,1-5,8-10,13-14H2
InChIKeyOWNDSDNGAAZZEG-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.71
Rot. Bonds4

About 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one

1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 105118669) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID105118669
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C18H25NO2/c20-17(5-4-15-6-11-19-12-7-15)16-8-13-21-18(14-16)9-2-1-3-10-18/h6-7,11-12,16H,1-5,8-10,13-14H2
InChIKeyOWNDSDNGAAZZEG-UHFFFAOYSA-N
XLogP3.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one (CID 105118669) is 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is OWNDSDNGAAZZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-17(5-4-15-6-11-19-12-7-15)16-8-13-21-18(14-16)9-2-1-3-10-18/h6-7,11-12,16H,1-5,8-10,13-14H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one?
1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 287.40 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 105118669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).