(8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one

C11H17NO4 — CID 10561263

IUPAC(8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one
SMILESCOCO[C@H]1/C=C\CCCN2C(=O)OC[C@H]12
InChIInChI=1S/C11H17NO4/c1-14-8-16-10-5-3-2-4-6-12-9(10)7-15-11(12)13/h3,5,9-10H,2,4,6-8H2,1H3/b5-3-/t9-,10+/m1/s1
InChIKeyWCRHQFKVUPCGAV-OSCQXZJKSA-N
MW227.26 g/mol
LogP1.15
Rot. Bonds3

About (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one

(8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one (PubChem CID 10561263) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one.

Molecular Properties

Compound Name(8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one
PubChem CID10561263
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one
SMILESCOCO[C@H]1/C=C\CCCN2C(=O)OC[C@H]12
InChIInChI=1S/C11H17NO4/c1-14-8-16-10-5-3-2-4-6-12-9(10)7-15-11(12)13/h3,5,9-10H,2,4,6-8H2,1H3/b5-3-/t9-,10+/m1/s1
InChIKeyWCRHQFKVUPCGAV-OSCQXZJKSA-N
XLogP1.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one?
The IUPAC name of (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one (CID 10561263) is (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one.
What is the SMILES notation for (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one?
The canonical SMILES for (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one is COCO[C@H]1/C=C\CCCN2C(=O)OC[C@H]12.
What is the InChIKey of (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one?
The InChIKey is WCRHQFKVUPCGAV-OSCQXZJKSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-8-16-10-5-3-2-4-6-12-9(10)7-15-11(12)13/h3,5,9-10H,2,4,6-8H2,1H3/b5-3-/t9-,10+/m1/s1.
What are the key properties of (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one?
(8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one has a molecular weight of 227.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,10S,10aR)-10-(methoxymethoxy)-1,5,6,7,10,10a-hexahydro-[1,3]oxazolo[3,4-a]azocin-3-one is sourced from PubChem (CID 10561263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).