spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]

C10H17NO2 — CID 149093719

IUPACspiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]
SMILESC1COC2(CCC3CNCC3C2)O1
InChIInChI=1S/C10H17NO2/c1-2-10(12-3-4-13-10)5-9-7-11-6-8(1)9/h8-9,11H,1-7H2
InChIKeyQSZPFEDJYFVANT-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.75
Rot. Bonds

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

spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane] (PubChem CID 149093719) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane].

Molecular Properties

Compound Namespiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]
PubChem CID149093719
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namespiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]
SMILESC1COC2(CCC3CNCC3C2)O1
InChIInChI=1S/C10H17NO2/c1-2-10(12-3-4-13-10)5-9-7-11-6-8(1)9/h8-9,11H,1-7H2
InChIKeyQSZPFEDJYFVANT-UHFFFAOYSA-N
XLogP0.75
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]?
The IUPAC name of spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane] (CID 149093719) is spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane].
What is the SMILES notation for spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]?
The canonical SMILES for spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane] is C1COC2(CCC3CNCC3C2)O1.
What is the InChIKey of spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]?
The InChIKey is QSZPFEDJYFVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(12-3-4-13-10)5-9-7-11-6-8(1)9/h8-9,11H,1-7H2.
What are the key properties of spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane]?
spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane] has a molecular weight of 183.25 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2,3,3a,4,5,7,7a-octahydroisoindole-6,2'-1,3-dioxolane] is sourced from PubChem (CID 149093719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).