3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C12H15N3O — CID 39083054

IUPAC3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1cc(C2=NOC3(CCNCC3)C2)ccn1
InChIInChI=1S/C12H15N3O/c1-5-13-6-2-10(1)11-9-12(16-15-11)3-7-14-8-4-12/h1-2,5-6,14H,3-4,7-9H2
InChIKeyHLFVADAWUOIQGN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.33
Rot. Bonds1

About 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 39083054) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID39083054
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESc1cc(C2=NOC3(CCNCC3)C2)ccn1
InChIInChI=1S/C12H15N3O/c1-5-13-6-2-10(1)11-9-12(16-15-11)3-7-14-8-4-12/h1-2,5-6,14H,3-4,7-9H2
InChIKeyHLFVADAWUOIQGN-UHFFFAOYSA-N
XLogP1.33
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 39083054) is 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is c1cc(C2=NOC3(CCNCC3)C2)ccn1.
What is the InChIKey of 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is HLFVADAWUOIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-5-13-6-2-10(1)11-9-12(16-15-11)3-7-14-8-4-12/h1-2,5-6,14H,3-4,7-9H2.
What are the key properties of 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 217.27 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 39083054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).