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

C11H11BrN2O — CID 115009745

IUPAC6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC1C2CN(c3cccc(Br)c3)C(=O)C12
InChIInChI=1S/C11H11BrN2O/c12-6-2-1-3-7(4-6)14-5-8-9(10(8)13)11(14)15/h1-4,8-10H,5,13H2
InChIKeyBKHUIUJEVIKQIW-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.37
Rot. Bonds1

About 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one

6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 115009745) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID115009745
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESNC1C2CN(c3cccc(Br)c3)C(=O)C12
InChIInChI=1S/C11H11BrN2O/c12-6-2-1-3-7(4-6)14-5-8-9(10(8)13)11(14)15/h1-4,8-10H,5,13H2
InChIKeyBKHUIUJEVIKQIW-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-3-(3-hydroxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009746
4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
3-(3-bromophenyl)-6-oxa-3-azabicyclo[3.1.1]heptan-2-one
CID 84808182
1-(3-bromophenyl)azetidin-3-amine
CID 117002846
(1R,2S,6S,7R,8S,10S)-4-(3-bromophenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 98119759
4-(3-bromophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3857832
3-(3-bromophenyl)imidazolidin-4-one
CID 83718816
(1S,5S,6S)-6-(bromomethyl)-3-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 146464452
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one;carbamic acid
CID 21127765
(3R)-1-(3-bromophenyl)-3,5-dimethylpiperazine
CID 146646153
3-(3-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011573
6-amino-2-(3-bromophenyl)-3H-isoindol-1-one
CID 82165752

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 115009745) is 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one is NC1C2CN(c3cccc(Br)c3)C(=O)C12.
What is the InChIKey of 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is BKHUIUJEVIKQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c12-6-2-1-3-7(4-6)14-5-8-9(10(8)13)11(14)15/h1-4,8-10H,5,13H2.
What are the key properties of 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 267.13 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-bromophenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 115009745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).