3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C17H24N2O2 — CID 164636026

IUPAC3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=c1c2c(ncn1C[C@H]1CCC3(CCCCC3)O1)CCC2
InChIInChI=1S/C17H24N2O2/c20-16-14-5-4-6-15(14)18-12-19(16)11-13-7-10-17(21-13)8-2-1-3-9-17/h12-13H,1-11H2/t13-/m1/s1
InChIKeyFQLRSRGJLDIBAO-CYBMUJFWSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds2

About 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 164636026) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID164636026
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESO=c1c2c(ncn1C[C@H]1CCC3(CCCCC3)O1)CCC2
InChIInChI=1S/C17H24N2O2/c20-16-14-5-4-6-15(14)18-12-19(16)11-13-7-10-17(21-13)8-2-1-3-9-17/h12-13H,1-11H2/t13-/m1/s1
InChIKeyFQLRSRGJLDIBAO-CYBMUJFWSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 164636026) is 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is O=c1c2c(ncn1C[C@H]1CCC3(CCCCC3)O1)CCC2.
What is the InChIKey of 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is FQLRSRGJLDIBAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-14-5-4-6-15(14)18-12-19(16)11-13-7-10-17(21-13)8-2-1-3-9-17/h12-13H,1-11H2/t13-/m1/s1.
What are the key properties of 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 288.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 164636026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).