10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one

C15H8BrNO — CID 91165192

IUPAC10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
SMILESO=C1c2c(-c3ccc(Br)cc3)n1c1ccccc21
InChIInChI=1S/C15H8BrNO/c16-10-7-5-9(6-8-10)14-13-11-3-1-2-4-12(11)17(14)15(13)18/h1-8H
InChIKeyPWIUHHDAKVXYIS-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.07
Rot. Bonds1

About 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one

10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one (PubChem CID 91165192) has the molecular formula C15H8BrNO and a molecular weight of 298.14 g/mol. Its IUPAC name is 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one.

Molecular Properties

Compound Name10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
PubChem CID91165192
Molecular FormulaC15H8BrNO
Molecular Weight298.14 g/mol
Exact Mass296.98
IUPAC Name10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
SMILESO=C1c2c(-c3ccc(Br)cc3)n1c1ccccc21
InChIInChI=1S/C15H8BrNO/c16-10-7-5-9(6-8-10)14-13-11-3-1-2-4-12(11)17(14)15(13)18/h1-8H
InChIKeyPWIUHHDAKVXYIS-UHFFFAOYSA-N
XLogP4.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one with MolForge

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Related Compounds

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CID 134517217
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CID 59413518
10-(2-methoxyphenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one
CID 67595885
2-(4-bromophenyl)-1-chloroindol-3-ol
CID 174940731
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-(4-bromophenyl)carbazole;methane;3-phenyl-2-(4-phenylphenyl)-1H-indole;9-[4-[3-phenyl-2-(4-phenylphenyl)indol-1-yl]phenyl]carbazole
CID 159156662
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
6-(bromomethyl)isoindolo[2,3-a]quinoline-5,11-dione
CID 14815096
3-bromo-9-(4-bromophenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 90347872
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
3-bromo-1-methyl-4-phenylquinolin-2-one
CID 50999162
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103

Frequently Asked Questions

What is the IUPAC name of 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
The IUPAC name of 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one (CID 91165192) is 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one.
What is the SMILES notation for 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
The canonical SMILES for 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one is O=C1c2c(-c3ccc(Br)cc3)n1c1ccccc21.
What is the InChIKey of 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
The InChIKey is PWIUHHDAKVXYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrNO/c16-10-7-5-9(6-8-10)14-13-11-3-1-2-4-12(11)17(14)15(13)18/h1-8H.
What are the key properties of 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one?
10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one has a molecular weight of 298.14 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-bromophenyl)-1-azatricyclo[6.1.1.02,7]deca-2,4,6,8(10)-tetraen-9-one is sourced from PubChem (CID 91165192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).