1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone

C14H17N3O2 — CID 957371

IUPAC1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC12CCCCC2
InChIInChI=1S/C14H17N3O2/c1-11(18)17-14(7-3-2-4-8-14)19-13(16-17)12-5-9-15-10-6-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyXMODIJBMDUWZSG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.28
Rot. Bonds1

About 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone

1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone (PubChem CID 957371) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone
PubChem CID957371
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC12CCCCC2
InChIInChI=1S/C14H17N3O2/c1-11(18)17-14(7-3-2-4-8-14)19-13(16-17)12-5-9-15-10-6-12/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyXMODIJBMDUWZSG-UHFFFAOYSA-N
XLogP2.28
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone?
The IUPAC name of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone (CID 957371) is 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone is CC(=O)N1N=C(c2ccncc2)OC12CCCCC2.
What is the InChIKey of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone?
The InChIKey is XMODIJBMDUWZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(18)17-14(7-3-2-4-8-14)19-13(16-17)12-5-9-15-10-6-12/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone?
1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.5]dec-2-en-4-yl)ethanone is sourced from PubChem (CID 957371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).