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

C11H17NO3 — CID 11745920

IUPAC(4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
SMILESO=C1CC[C@@H]2CC3(CC[C@H]2N1)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)/t8-,9-/m1/s1
InChIKeyYUIMPQDGCGUBHC-RKDXNWHRSA-N
MW211.26 g/mol
LogP0.81
Rot. Bonds

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

(4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one (PubChem CID 11745920) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Name(4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
PubChem CID11745920
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one
SMILESO=C1CC[C@@H]2CC3(CC[C@H]2N1)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)/t8-,9-/m1/s1
InChIKeyYUIMPQDGCGUBHC-RKDXNWHRSA-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 (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
The IUPAC name of (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one (CID 11745920) is (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
The canonical SMILES for (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one is O=C1CC[C@@H]2CC3(CC[C@H]2N1)OCCO3.
What is the InChIKey of (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
The InChIKey is YUIMPQDGCGUBHC-RKDXNWHRSA-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)/t8-,9-/m1/s1.
What are the key properties of (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one?
(4aR,8aR)-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 (4aR,8aR)-spiro[1,3,4,4a,5,7,8,8a-octahydroquinoline-6,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 11745920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).