6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone

C14H18N2O2 — CID 102923197

IUPAC6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18N2O2/c17-13(12-8-15-10-16-9-12)11-3-6-18-14(7-11)4-1-2-5-14/h8-11H,1-7H2
InChIKeyFCDGTOPKGJRCCU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.40
Rot. Bonds2

About 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone

6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone (PubChem CID 102923197) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
PubChem CID102923197
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone
SMILESO=C(c1cncnc1)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H18N2O2/c17-13(12-8-15-10-16-9-12)11-3-6-18-14(7-11)4-1-2-5-14/h8-11H,1-7H2
InChIKeyFCDGTOPKGJRCCU-UHFFFAOYSA-N
XLogP2.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone?
The IUPAC name of 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone (CID 102923197) is 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone.
What is the SMILES notation for 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone?
The canonical SMILES for 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone is O=C(c1cncnc1)C1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone?
The InChIKey is FCDGTOPKGJRCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(12-8-15-10-16-9-12)11-3-6-18-14(7-11)4-1-2-5-14/h8-11H,1-7H2.
What are the key properties of 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone?
6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxaspiro[4.5]decan-9-yl(pyrimidin-5-yl)methanone is sourced from PubChem (CID 102923197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).