5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine

C13H16BrNO — CID 159503853

IUPAC5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine
SMILESBrc1c2c(cc3c1CCCO3)CCNCC2
InChIInChI=1S/C13H16BrNO/c14-13-10-4-6-15-5-3-9(10)8-12-11(13)2-1-7-16-12/h8,15H,1-7H2
InChIKeyLZSRCNCRVXYAOS-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.46
Rot. Bonds

About 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine

5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine (PubChem CID 159503853) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine
PubChem CID159503853
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine
SMILESBrc1c2c(cc3c1CCCO3)CCNCC2
InChIInChI=1S/C13H16BrNO/c14-13-10-4-6-15-5-3-9(10)8-12-11(13)2-1-7-16-12/h8,15H,1-7H2
InChIKeyLZSRCNCRVXYAOS-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine with MolForge

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Related Compounds

5-bromo-4-(2-methoxyethyl)-3,6,7,8,9,10-hexahydro-2H-[1,4]oxazino[2,3-h][3]benzazepine
CID 53379749
7-bromo-3,4-dihydro-2H-chromen-5-ol
CID 23532364
2,3,4,7,8,9-hexahydropyrano[2,3-g]chromene-5-thiol
CID 116986422
5,7-difluoro-3,4-dihydro-2H-chromene
CID 83397396
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine
CID 58495069
(5-bromo-3,4-dihydro-2H-chromen-6-yl)methanol
CID 134205972
3,5,6,7-tetrahydro-2H-cyclopenta[f][1]benzofuran-4-amine
CID 122480718
5-bromo-3,4-dihydro-2H-chromene
CID 22009964
5-bromo-3,4-dihydro-2H-pyrano[2,3-c]pyridine
CID 68737919
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)ethanamine
CID 115010138
1-(3,4-dihydro-2H-chromen-6-yl)piperazine
CID 15485010

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine?
The IUPAC name of 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine (CID 159503853) is 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine.
What is the SMILES notation for 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine?
The canonical SMILES for 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine is Brc1c2c(cc3c1CCCO3)CCNCC2.
What is the InChIKey of 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine?
The InChIKey is LZSRCNCRVXYAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-13-10-4-6-15-5-3-9(10)8-12-11(13)2-1-7-16-12/h8,15H,1-7H2.
What are the key properties of 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine?
5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine has a molecular weight of 282.18 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3,4,6,7,8,9,10-octahydropyrano[2,3-h][3]benzazepine is sourced from PubChem (CID 159503853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).