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

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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).