3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine

C12H13NO2 — CID 72970323

IUPAC3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
SMILESCOC1=NC2c3ccccc3CC2OC1
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
InChIKeyUOKUWQIMULFKTO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.73
Rot. Bonds

About 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine

3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine (PubChem CID 72970323) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine.

Molecular Properties

Compound Name3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
PubChem CID72970323
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine
SMILESCOC1=NC2c3ccccc3CC2OC1
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
InChIKeyUOKUWQIMULFKTO-UHFFFAOYSA-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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Related Compounds

1-[(4aR,9aS)-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3-yl]-2-(2,3,4,5,6-pentafluorophenyl)hydrazine
CID 11465261
(3aS,8bR)-2-bromo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 24767136
(3aR,8bS)-2-[2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]phenyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 10949221
2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclopropyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 134939542
2-(trichloromethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 164678493
(3aS,8bR)-2-[1-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclobutyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 146013168
[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl] 2-methylprop-2-enoate
CID 102221770
(3aS,8bR)-2-(6-propan-2-yl-2-pyridinyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 177401267
2-[1-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]cyclohexyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 162344850
2-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]acetonitrile
CID 15782541
2,2-bis[(3aS,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]acetonitrile
CID 155905817
(3aS,8bR)-2-[1,2-bis[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]propan-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 53235750

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
The IUPAC name of 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine (CID 72970323) is 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine.
What is the SMILES notation for 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
The canonical SMILES for 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine is COC1=NC2c3ccccc3CC2OC1.
What is the InChIKey of 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
The InChIKey is UOKUWQIMULFKTO-UHFFFAOYSA-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.
What are the key properties of 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine?
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 3-methoxy-2,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazine is sourced from PubChem (CID 72970323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).