3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one

C13H19N3O2 — CID 134394542

IUPAC3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1N1CCOC2(CCNCC2)C1
InChIInChI=1S/C13H19N3O2/c17-12-11(2-1-5-15-12)16-8-9-18-13(10-16)3-6-14-7-4-13/h1-2,5,14H,3-4,6-10H2,(H,15,17)
InChIKeyWKZSEBORHGTVSX-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.33
Rot. Bonds1

About 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one

3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one (PubChem CID 134394542) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one
PubChem CID134394542
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1N1CCOC2(CCNCC2)C1
InChIInChI=1S/C13H19N3O2/c17-12-11(2-1-5-15-12)16-8-9-18-13(10-16)3-6-14-7-4-13/h1-2,5,14H,3-4,6-10H2,(H,15,17)
InChIKeyWKZSEBORHGTVSX-UHFFFAOYSA-N
XLogP0.33
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one (CID 134394542) is 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one is O=c1[nH]cccc1N1CCOC2(CCNCC2)C1.
What is the InChIKey of 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one?
The InChIKey is WKZSEBORHGTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-12-11(2-1-5-15-12)16-8-9-18-13(10-16)3-6-14-7-4-13/h1-2,5,14H,3-4,6-10H2,(H,15,17).
What are the key properties of 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one?
3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 134394542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).