6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone

C15H19NO2 — CID 79913229

IUPAC6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19NO2/c17-14(13-5-1-4-9-16-13)12-6-10-18-15(11-12)7-2-3-8-15/h1,4-5,9,12H,2-3,6-8,10-11H2
InChIKeyPGJGWAXLNJEANK-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.00
Rot. Bonds2

About 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone

6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone (PubChem CID 79913229) 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-2-yl)methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
PubChem CID79913229
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19NO2/c17-14(13-5-1-4-9-16-13)12-6-10-18-15(11-12)7-2-3-8-15/h1,4-5,9,12H,2-3,6-8,10-11H2
InChIKeyPGJGWAXLNJEANK-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

6-oxaspiro[4.5]decan-9-yl(pyridin-4-yl)methanone
CID 79912789
(2-methyl-1,3-thiazol-4-yl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 105119078
(2-chlorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79922324
naphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79908870
5-oxaspiro[3.5]nonan-8-yl(pyridazin-4-yl)methanone
CID 105115605
6-oxaspiro[4.5]decan-9-yl(1H-1,2,4-triazol-5-yl)methanone
CID 79921982
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
(4-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912669
(4-iodophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787374
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)-2-phenylethanone
CID 116551165
(3-chlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 79912890
(3-fluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 79913116

Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone (CID 79913229) is 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone is O=C(c1ccccn1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone?
The InChIKey is PGJGWAXLNJEANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(13-5-1-4-9-16-13)12-6-10-18-15(11-12)7-2-3-8-15/h1,4-5,9,12H,2-3,6-8,10-11H2.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone?
6-oxaspiro[4.5]decan-9-yl(pyridin-2-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-2-yl)methanone is sourced from PubChem (CID 79913229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).