5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one

C11H10BrNO — CID 84804165

IUPAC5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2(c3ccccc3Br)CC12
InChIInChI=1S/C11H10BrNO/c12-9-4-2-1-3-7(9)11-5-8(11)10(14)13-6-11/h1-4,8H,5-6H2,(H,13,14)
InChIKeyHGLJSCNXNWMBJF-UHFFFAOYSA-N
MW252.11 g/mol
LogP1.84
Rot. Bonds1

About 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one

5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 84804165) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID84804165
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NCC2(c3ccccc3Br)CC12
InChIInChI=1S/C11H10BrNO/c12-9-4-2-1-3-7(9)11-5-8(11)10(14)13-6-11/h1-4,8H,5-6H2,(H,13,14)
InChIKeyHGLJSCNXNWMBJF-UHFFFAOYSA-N
XLogP1.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 84777218
5-(2-chlorophenyl)-3-azabicyclo[3.2.0]heptan-2-one
CID 84788394
7-bromo-2'-methylspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 106701793
1-(2-bromophenyl)-3-azabicyclo[3.1.1]heptane
CID 84804230
8-bromo-4,4-dimethyl-2,3-dihydroisoquinolin-1-one
CID 133054201
4-(2-bromophenyl)-4-methylazetidin-2-one
CID 64666618
3-(2-bromophenyl)azetidin-3-amine;hydrochloride
CID 166608779
5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one
CID 84797846
3-amino-1-(2-bromophenyl)cyclobutane-1-carboxylic acid
CID 115050323
3-(2-bromophenyl)-3-methylpyrrolidine
CID 62354169
2-(2-bromophenyl)-2,3,3-trifluorothiirane
CID 151869522
2-[1-(2-bromophenyl)-6,6-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84604824

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 84804165) is 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one is O=C1NCC2(c3ccccc3Br)CC12.
What is the InChIKey of 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is HGLJSCNXNWMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-9-4-2-1-3-7(9)11-5-8(11)10(14)13-6-11/h1-4,8H,5-6H2,(H,13,14).
What are the key properties of 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 252.11 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 84804165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).