6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone

C15H19NO2 — CID 79912789

IUPAC6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19NO2/c17-14(12-3-8-16-9-4-12)13-5-10-18-15(11-13)6-1-2-7-15/h3-4,8-9,13H,1-2,5-7,10-11H2
InChIKeyOOVAGYQJPQGNGJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.00
Rot. Bonds2

About 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone

6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone (PubChem CID 79912789) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
PubChem CID79912789
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
SMILESO=C(c1ccncc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19NO2/c17-14(12-3-8-16-9-4-12)13-5-10-18-15(11-13)6-1-2-7-15/h3-4,8-9,13H,1-2,5-7,10-11H2
InChIKeyOOVAGYQJPQGNGJ-UHFFFAOYSA-N
XLogP3.00
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
CID 105115605
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
1-(1-oxaspiro[5.5]undecan-4-yl)-3-pyridin-4-ylpropan-1-one
CID 105118669
[4-(2-aminoethyl)phenyl]-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116577640
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
(4-methoxyphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913550
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783940

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone (CID 79912789) is 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone is O=C(c1ccncc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone?
The InChIKey is OOVAGYQJPQGNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(12-3-8-16-9-4-12)13-5-10-18-15(11-13)6-1-2-7-15/h3-4,8-9,13H,1-2,5-7,10-11H2.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone?
6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone is sourced from PubChem (CID 79912789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).