5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone

C13H16N2O2 — CID 105115605

IUPAC5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
SMILESO=C(c1ccnnc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H16N2O2/c16-12(11-2-6-14-15-9-11)10-3-7-17-13(8-10)4-1-5-13/h2,6,9-10H,1,3-5,7-8H2
InChIKeyVCVDSJUAKJINFA-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.01
Rot. Bonds2

About 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone

5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone (PubChem CID 105115605) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone.

Molecular Properties

Compound Name5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
PubChem CID105115605
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
SMILESO=C(c1ccnnc1)C1CCOC2(CCC2)C1
InChIInChI=1S/C13H16N2O2/c16-12(11-2-6-14-15-9-11)10-3-7-17-13(8-10)4-1-5-13/h2,6,9-10H,1,3-5,7-8H2
InChIKeyVCVDSJUAKJINFA-UHFFFAOYSA-N
XLogP2.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(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
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116
(4-methylsulfonylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783940
(3,5-difluorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913940
2,6-dioxaspiro[4.5]decan-9-yl-(6-methyl-3-pyridinyl)methanone
CID 105119165
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
(4-methylsulfanylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787795

Frequently Asked Questions

What is the IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone?
The IUPAC name of 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone (CID 105115605) is 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone.
What is the SMILES notation for 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone?
The canonical SMILES for 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone is O=C(c1ccnnc1)C1CCOC2(CCC2)C1.
What is the InChIKey of 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone?
The InChIKey is VCVDSJUAKJINFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(11-2-6-14-15-9-11)10-3-7-17-13(8-10)4-1-5-13/h2,6,9-10H,1,3-5,7-8H2.
What are the key properties of 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone?
5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone is sourced from PubChem (CID 105115605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).