6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine

C15H12BrNO — CID 114287304

IUPAC6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
SMILESBrc1cccc2c1OC1c3ccccc3CC1N2
InChIInChI=1S/C15H12BrNO/c16-11-6-3-7-12-15(11)18-14-10-5-2-1-4-9(10)8-13(14)17-12/h1-7,13-14,17H,8H2
InChIKeyYSDFJQPXWNXVRE-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.92
Rot. Bonds

About 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine

6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine (PubChem CID 114287304) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
PubChem CID114287304
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
SMILESBrc1cccc2c1OC1c3ccccc3CC1N2
InChIInChI=1S/C15H12BrNO/c16-11-6-3-7-12-15(11)18-14-10-5-2-1-4-9(10)8-13(14)17-12/h1-7,13-14,17H,8H2
InChIKeyYSDFJQPXWNXVRE-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-6-methyl-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 115825727
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287294
6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine
CID 114287306
(6S)-10-bromo-6-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine
CID 53492879
2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
CID 91804990
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
2-(3,4-dihydro-2H-chromen-2-yl)-2,3-dihydro-1H-indole
CID 91333420
8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CID 83825671
8-bromo-6,6a,7,11b-tetrahydro-5H-benzo[c]carbazole
CID 146341834
(3aR,8bS)-2-methyl-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3,2]oxazaborole
CID 11355770
7-bromo-2,3-dihydro-1-benzofuran-2-carbaldehyde
CID 86087175

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The IUPAC name of 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine (CID 114287304) is 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine.
What is the SMILES notation for 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The canonical SMILES for 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine is Brc1cccc2c1OC1c3ccccc3CC1N2.
What is the InChIKey of 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
The InChIKey is YSDFJQPXWNXVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-11-6-3-7-12-15(11)18-14-10-5-2-1-4-9(10)8-13(14)17-12/h1-7,13-14,17H,8H2.
What are the key properties of 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine?
6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine has a molecular weight of 302.17 g/mol, XLogP of 3.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine is sourced from PubChem (CID 114287304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).