(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]

C11H19NO2 — CID 96858903

IUPAC(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]
SMILESC1CN[C@H]2CCC3(C[C@H]2C1)OCCO3
InChIInChI=1S/C11H19NO2/c1-2-9-8-11(13-6-7-14-11)4-3-10(9)12-5-1/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKeyFXHLGDMIGLCTEF-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.28
Rot. Bonds

About (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]

(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline] (PubChem CID 96858903) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline].

Molecular Properties

Compound Name(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]
PubChem CID96858903
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]
SMILESC1CN[C@H]2CCC3(C[C@H]2C1)OCCO3
InChIInChI=1S/C11H19NO2/c1-2-9-8-11(13-6-7-14-11)4-3-10(9)12-5-1/h9-10,12H,1-8H2/t9-,10+/m1/s1
InChIKeyFXHLGDMIGLCTEF-ZJUUUORDSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]?
The IUPAC name of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline] (CID 96858903) is (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline].
What is the SMILES notation for (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]?
The canonical SMILES for (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline] is C1CN[C@H]2CCC3(C[C@H]2C1)OCCO3.
What is the InChIKey of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]?
The InChIKey is FXHLGDMIGLCTEF-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-9-8-11(13-6-7-14-11)4-3-10(9)12-5-1/h9-10,12H,1-8H2/t9-,10+/m1/s1.
What are the key properties of (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline]?
(4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline] has a molecular weight of 197.28 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'aR,8'aS)-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-quinoline] is sourced from PubChem (CID 96858903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).