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

C12H13NO2 — CID 11460495

IUPAC(4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
SMILESCOC1=N[C@@H]2c3ccccc3C[C@@H]2OC1
InChIInChI=1S/C12H13NO2/c1-14-11-7-15-10-6-8-4-2-3-5-9(8)12(10)13-11/h2-5,10,12H,6-7H2,1H3/t10-,12+/m0/s1
InChIKeyUOKUWQIMULFKTO-CMPLNLGQSA-N
MW203.24 g/mol
LogP1.73
Rot. Bonds

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

(4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine (PubChem CID 11460495) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
PubChem CID11460495
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
SMILESCOC1=N[C@@H]2c3ccccc3C[C@@H]2OC1
InChIInChI=1S/C12H13NO2/c1-14-11-7-15-10-6-8-4-2-3-5-9(8)12(10)13-11/h2-5,10,12H,6-7H2,1H3/t10-,12+/m0/s1
InChIKeyUOKUWQIMULFKTO-CMPLNLGQSA-N
XLogP1.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
The IUPAC name of (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine (CID 11460495) is (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine.
What is the SMILES notation for (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
The canonical SMILES for (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine is COC1=N[C@@H]2c3ccccc3C[C@@H]2OC1.
What is the InChIKey of (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
The InChIKey is UOKUWQIMULFKTO-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H13NO2/c1-14-11-7-15-10-6-8-4-2-3-5-9(8)12(10)13-11/h2-5,10,12H,6-7H2,1H3/t10-,12+/m0/s1.
What are the key properties of (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
(4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine has a molecular weight of 203.24 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aS)-3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine is sourced from PubChem (CID 11460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).