1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone

C14H17N3O2 — CID 134788930

IUPAC1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(c1cccnc1)=NO2
InChIInChI=1S/C14H17N3O2/c1-11(18)17-7-4-14(5-8-17)9-13(16-19-14)12-3-2-6-15-10-12/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyXSTBJMNHCCPZOS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds1

About 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone

1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone (PubChem CID 134788930) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
PubChem CID134788930
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(c1cccnc1)=NO2
InChIInChI=1S/C14H17N3O2/c1-11(18)17-7-4-14(5-8-17)9-13(16-19-14)12-3-2-6-15-10-12/h2-3,6,10H,4-5,7-9H2,1H3
InChIKeyXSTBJMNHCCPZOS-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
The IUPAC name of 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone (CID 134788930) is 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone.
What is the SMILES notation for 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
The canonical SMILES for 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone is CC(=O)N1CCC2(CC1)CC(c1cccnc1)=NO2.
What is the InChIKey of 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
The InChIKey is XSTBJMNHCCPZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(18)17-7-4-14(5-8-17)9-13(16-19-14)12-3-2-6-15-10-12/h2-3,6,10H,4-5,7-9H2,1H3.
What are the key properties of 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone?
1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone has a molecular weight of 259.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)ethanone is sourced from PubChem (CID 134788930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).