spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one

C11H17NO3 — CID 57282025

IUPACspiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
SMILESO=C1CCC2CC3(CCC2N1)OCCO3
InChIInChI=1S/C11H17NO3/c13-10-2-1-8-7-11(14-5-6-15-11)4-3-9(8)12-10/h8-9H,1-7H2,(H,12,13)
InChIKeyYUIMPQDGCGUBHC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds

About spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one

spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one (PubChem CID 57282025) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Namespiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
PubChem CID57282025
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namespiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
SMILESO=C1CCC2CC3(CCC2N1)OCCO3
InChIInChI=1S/C11H17NO3/c13-10-2-1-8-7-11(14-5-6-15-11)4-3-9(8)12-10/h8-9H,1-7H2,(H,12,13)
InChIKeyYUIMPQDGCGUBHC-UHFFFAOYSA-N
XLogP0.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
The IUPAC name of spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one (CID 57282025) is spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
The canonical SMILES for spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one is O=C1CCC2CC3(CCC2N1)OCCO3.
What is the InChIKey of spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
The InChIKey is YUIMPQDGCGUBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-10-2-1-8-7-11(14-5-6-15-11)4-3-9(8)12-10/h8-9H,1-7H2,(H,12,13).
What are the key properties of spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 57282025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).