1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone

C15H19N3O2 — CID 600088

IUPAC1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC12CCCCCC2
InChIInChI=1S/C15H19N3O2/c1-12(19)18-15(8-4-2-3-5-9-15)20-14(17-18)13-6-10-16-11-7-13/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyDACIUTKLQUZGRE-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.67
Rot. Bonds1

About 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone

1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone (PubChem CID 600088) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone
PubChem CID600088
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone
SMILESCC(=O)N1N=C(c2ccncc2)OC12CCCCCC2
InChIInChI=1S/C15H19N3O2/c1-12(19)18-15(8-4-2-3-5-9-15)20-14(17-18)13-6-10-16-11-7-13/h6-7,10-11H,2-5,8-9H2,1H3
InChIKeyDACIUTKLQUZGRE-UHFFFAOYSA-N
XLogP2.67
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.67
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[4.6]undec-2-en-4-yl)ethanone?
The IUPAC name of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone (CID 600088) is 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone.
What is the SMILES notation for 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone?
The canonical SMILES for 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone is CC(=O)N1N=C(c2ccncc2)OC12CCCCCC2.
What is the InChIKey of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone?
The InChIKey is DACIUTKLQUZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(19)18-15(8-4-2-3-5-9-15)20-14(17-18)13-6-10-16-11-7-13/h6-7,10-11H,2-5,8-9H2,1H3.
What are the key properties of 1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone?
1-(2-pyridin-4-yl-1-oxa-3,4-diazaspiro[4.6]undec-2-en-4-yl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 2.67, 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[4.6]undec-2-en-4-yl)ethanone is sourced from PubChem (CID 600088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).