5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine

C13H17NO2 — CID 141283297

IUPAC5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CCC3(CC2)OCCO3)=CNC1
InChIInChI=1S/C13H17NO2/c1-2-12(10-14-7-1)11-3-5-13(6-4-11)15-8-9-16-13/h1-3,10,14H,4-9H2
InChIKeyMHWGCIIKDGWSOM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.88
Rot. Bonds1

About 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine

5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine (PubChem CID 141283297) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine
PubChem CID141283297
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine
SMILESC1=CC(C2=CCC3(CC2)OCCO3)=CNC1
InChIInChI=1S/C13H17NO2/c1-2-12(10-14-7-1)11-3-5-13(6-4-11)15-8-9-16-13/h1-3,10,14H,4-9H2
InChIKeyMHWGCIIKDGWSOM-UHFFFAOYSA-N
XLogP1.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;8-phenyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 91004379
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1H-pyridin-2-one
CID 66750331
1,4-dioxaspiro[4.5]dec-7-ene-8-thiol
CID 141171889
4-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzaldehyde
CID 130331777
8-naphthalen-2-yl-1,4-dioxaspiro[4.5]dec-7-ene
CID 134381562
2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)benzonitrile
CID 21187680
1,4-dioxaspiro[4.5]dec-7-ene-8-carbaldehyde
CID 14753677
[2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)phenyl]methanol
CID 59541120
1-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)piperidine
CID 11287514
8-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 90858366
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-propan-2-yl-1H-pyridin-2-one
CID 123449596
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 144926160

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine?
The IUPAC name of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine (CID 141283297) is 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine.
What is the SMILES notation for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine?
The canonical SMILES for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine is C1=CC(C2=CCC3(CC2)OCCO3)=CNC1.
What is the InChIKey of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine?
The InChIKey is MHWGCIIKDGWSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-12(10-14-7-1)11-3-5-13(6-4-11)15-8-9-16-13/h1-3,10,14H,4-9H2.
What are the key properties of 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine?
5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine has a molecular weight of 219.28 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-1,2-dihydropyridine is sourced from PubChem (CID 141283297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).