1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline

C12H15NO — CID 69056332

IUPAC1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline
SMILESC1=CC2=C3COCCN3CCC2C=C1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)5-6-13-7-8-14-9-12(11)13/h1-4,10H,5-9H2
InChIKeyOLOUSIYMZNBSGF-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.72
Rot. Bonds

About 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline

1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline (PubChem CID 69056332) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline.

Molecular Properties

Compound Name1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline
PubChem CID69056332
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline
SMILESC1=CC2=C3COCCN3CCC2C=C1
InChIInChI=1S/C12H15NO/c1-2-4-11-10(3-1)5-6-13-7-8-14-9-12(11)13/h1-4,10H,5-9H2
InChIKeyOLOUSIYMZNBSGF-UHFFFAOYSA-N
XLogP1.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline?
The IUPAC name of 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline (CID 69056332) is 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline.
What is the SMILES notation for 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline?
The canonical SMILES for 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline is C1=CC2=C3COCCN3CCC2C=C1.
What is the InChIKey of 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline?
The InChIKey is OLOUSIYMZNBSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11-10(3-1)5-6-13-7-8-14-9-12(11)13/h1-4,10H,5-9H2.
What are the key properties of 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline?
1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline has a molecular weight of 189.26 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,7a-hexahydro-[1,4]oxazino[3,4-a]isoquinoline is sourced from PubChem (CID 69056332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).