(4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine

C11H15NO — CID 173153154

IUPAC(4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine
SMILESC1=CC2=C[C@@H]3NCCOC3[C@@H]2CC1
InChIInChI=1S/C11H15NO/c1-2-4-9-8(3-1)7-10-11(9)13-6-5-12-10/h1,3,7,9-12H,2,4-6H2/t9-,10+,11?/m1/s1
InChIKeyPGGGHSUOYHGJJG-JKIOLJMWSA-N
MW177.25 g/mol
LogP1.25
Rot. Bonds

About (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine

(4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine (PubChem CID 173153154) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine.

Molecular Properties

Compound Name(4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine
PubChem CID173153154
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine
SMILESC1=CC2=C[C@@H]3NCCOC3[C@@H]2CC1
InChIInChI=1S/C11H15NO/c1-2-4-9-8(3-1)7-10-11(9)13-6-5-12-10/h1,3,7,9-12H,2,4-6H2/t9-,10+,11?/m1/s1
InChIKeyPGGGHSUOYHGJJG-JKIOLJMWSA-N
XLogP1.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine?
The IUPAC name of (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine (CID 173153154) is (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine.
What is the SMILES notation for (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine?
The canonical SMILES for (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine is C1=CC2=C[C@@H]3NCCOC3[C@@H]2CC1.
What is the InChIKey of (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine?
The InChIKey is PGGGHSUOYHGJJG-JKIOLJMWSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-9-8(3-1)7-10-11(9)13-6-5-12-10/h1,3,7,9-12H,2,4-6H2/t9-,10+,11?/m1/s1.
What are the key properties of (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine?
(4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine has a molecular weight of 177.25 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aR)-2,3,4,4a,8,9,9a,9b-octahydroindeno[1,2-b][1,4]oxazine is sourced from PubChem (CID 173153154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).