(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C13H22N2O2 — CID 129463286

IUPAC(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCC[C@@]12CCNC2
InChIInChI=1S/C13H22N2O2/c16-12-13(5-6-14-10-13)4-1-7-15(12)11-2-8-17-9-3-11/h11,14H,1-10H2/t13-/m0/s1
InChIKeyCIRDIYNMLQAMEB-ZDUSSCGKSA-N
MW238.33 g/mol
LogP0.77
Rot. Bonds1

About (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 129463286) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID129463286
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCC[C@@]12CCNC2
InChIInChI=1S/C13H22N2O2/c16-12-13(5-6-14-10-13)4-1-7-15(12)11-2-8-17-9-3-11/h11,14H,1-10H2/t13-/m0/s1
InChIKeyCIRDIYNMLQAMEB-ZDUSSCGKSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 129463286) is (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCC[C@@]12CCNC2.
What is the InChIKey of (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CIRDIYNMLQAMEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12-13(5-6-14-10-13)4-1-7-15(12)11-2-8-17-9-3-11/h11,14H,1-10H2/t13-/m0/s1.
What are the key properties of (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 238.33 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 129463286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).