(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C12H15N3O2 — CID 141312603

IUPAC(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1O[C@]2(CCCNC2)CN1c1cccnc1
InChIInChI=1S/C12H15N3O2/c16-11-15(10-3-1-5-13-7-10)9-12(17-11)4-2-6-14-8-12/h1,3,5,7,14H,2,4,6,8-9H2/t12-/m0/s1
InChIKeyTXPKAQWGVGPQTE-LBPRGKRZSA-N
MW233.27 g/mol
LogP1.16
Rot. Bonds1

About (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 141312603) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID141312603
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1O[C@]2(CCCNC2)CN1c1cccnc1
InChIInChI=1S/C12H15N3O2/c16-11-15(10-3-1-5-13-7-10)9-12(17-11)4-2-6-14-8-12/h1,3,5,7,14H,2,4,6,8-9H2/t12-/m0/s1
InChIKeyTXPKAQWGVGPQTE-LBPRGKRZSA-N
XLogP1.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 141312603) is (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1O[C@]2(CCCNC2)CN1c1cccnc1.
What is the InChIKey of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is TXPKAQWGVGPQTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-15(10-3-1-5-13-7-10)9-12(17-11)4-2-6-14-8-12/h1,3,5,7,14H,2,4,6,8-9H2/t12-/m0/s1.
What are the key properties of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 141312603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).