2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline

C12H15NO — CID 15981604

IUPAC2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline
SMILESc1ccc2c(c1)CCN1CCCOC21
InChIInChI=1S/C12H15NO/c1-2-5-11-10(4-1)6-8-13-7-3-9-14-12(11)13/h1-2,4-5,12H,3,6-9H2
InChIKeyRIYBAQUIWHZLKT-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.96
Rot. Bonds

About 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline

2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline (PubChem CID 15981604) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline.

Molecular Properties

Compound Name2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline
PubChem CID15981604
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline
SMILESc1ccc2c(c1)CCN1CCCOC21
InChIInChI=1S/C12H15NO/c1-2-5-11-10(4-1)6-8-13-7-3-9-14-12(11)13/h1-2,4-5,12H,3,6-9H2
InChIKeyRIYBAQUIWHZLKT-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline?
The IUPAC name of 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline (CID 15981604) is 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline.
What is the SMILES notation for 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline?
The canonical SMILES for 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline is c1ccc2c(c1)CCN1CCCOC21.
What is the InChIKey of 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline?
The InChIKey is RIYBAQUIWHZLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-5-11-10(4-1)6-8-13-7-3-9-14-12(11)13/h1-2,4-5,12H,3,6-9H2.
What are the key properties of 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline?
2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline has a molecular weight of 189.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,11b-hexahydro-[1,3]oxazino[2,3-a]isoquinoline is sourced from PubChem (CID 15981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).