2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone

C15H19NO3 — CID 105119165

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCOC3(CCOC3)C2)cn1
InChIInChI=1S/C15H19NO3/c1-11-2-3-13(9-16-11)14(17)12-4-6-19-15(8-12)5-7-18-10-15/h2-3,9,12H,4-8,10H2,1H3
InChIKeyFDDACBPWLRPHNW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.16
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone

2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone (PubChem CID 105119165) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone
PubChem CID105119165
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2CCOC3(CCOC3)C2)cn1
InChIInChI=1S/C15H19NO3/c1-11-2-3-13(9-16-11)14(17)12-4-6-19-15(8-12)5-7-18-10-15/h2-3,9,12H,4-8,10H2,1H3
InChIKeyFDDACBPWLRPHNW-UHFFFAOYSA-N
XLogP2.16
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone with MolForge

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 114329724
(2,6-dimethyl-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107502445
[4-(2-aminoethyl)phenyl]-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116577663
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylfuran-3-yl)methanone
CID 104789251
5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
CID 105115605
1,9-dioxaspiro[5.5]undecan-4-yl-(4-fluoro-3-methylphenyl)methanone
CID 79908392
(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106691187
(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106865081
(3-chloro-4-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79908902
cyclohexyl-(6-methyl-3-pyridinyl)methanone
CID 63155759
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-(4-methylphenyl)ethanone
CID 79921686
(3,5-dibromophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 107977143

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone (CID 105119165) is 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2CCOC3(CCOC3)C2)cn1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone?
The InChIKey is FDDACBPWLRPHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-2-3-13(9-16-11)14(17)12-4-6-19-15(8-12)5-7-18-10-15/h2-3,9,12H,4-8,10H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone?
2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105119165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).