2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol

C11H13NO2 — CID 84663247

IUPAC2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol
SMILESOc1ccc2c(c1)C1OCCNC1C2
InChIInChI=1S/C11H13NO2/c13-8-2-1-7-5-10-11(9(7)6-8)14-4-3-12-10/h1-2,6,10-13H,3-5H2
InChIKeyXSHRDGIGZANZAX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.98
Rot. Bonds

About 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol

2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol (PubChem CID 84663247) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol.

Molecular Properties

Compound Name2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol
PubChem CID84663247
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol
SMILESOc1ccc2c(c1)C1OCCNC1C2
InChIInChI=1S/C11H13NO2/c13-8-2-1-7-5-10-11(9(7)6-8)14-4-3-12-10/h1-2,6,10-13H,3-5H2
InChIKeyXSHRDGIGZANZAX-UHFFFAOYSA-N
XLogP0.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4aR,10bR)-9-[(2-methylpropan-2-yl)oxy]-3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazine
CID 58613157
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
3,4,4a,5,6,10b-hexahydro-2H-benzo[h][1,4]benzoxazin-7-ol
CID 84673246
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
(1R,13S)-1-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4,13-diol
CID 90679265
(1S,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 124562991
(4aR,10aS)-5,5-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[g]quinolin-7-ol
CID 86733867
1-pyrrolidin-2-yl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 83359300
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-4-ol
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2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol?
The IUPAC name of 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol (CID 84663247) is 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol.
What is the SMILES notation for 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol?
The canonical SMILES for 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol is Oc1ccc2c(c1)C1OCCNC1C2.
What is the InChIKey of 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol?
The InChIKey is XSHRDGIGZANZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-2-1-7-5-10-11(9(7)6-8)14-4-3-12-10/h1-2,6,10-13H,3-5H2.
What are the key properties of 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol?
2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol has a molecular weight of 191.23 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,9b-hexahydroindeno[1,2-b][1,4]oxazin-8-ol is sourced from PubChem (CID 84663247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).