2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone

C11H16N2O — CID 130856950

IUPAC2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESO=C(C1C2CNC1C2)N1CC2CC2C1
InChIInChI=1S/C11H16N2O/c14-11(10-6-2-9(10)12-3-6)13-4-7-1-8(7)5-13/h6-10,12H,1-5H2
InChIKeyMLIZCUXLDNZMEY-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.07
Rot. Bonds1

About 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone

2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 130856950) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID130856950
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESO=C(C1C2CNC1C2)N1CC2CC2C1
InChIInChI=1S/C11H16N2O/c14-11(10-6-2-9(10)12-3-6)13-4-7-1-8(7)5-13/h6-10,12H,1-5H2
InChIKeyMLIZCUXLDNZMEY-UHFFFAOYSA-N
XLogP0.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone with MolForge

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Related Compounds

tert-butyl (1S,3R,6R,8R)-4,10-diazatricyclo[6.3.0.03,6]undecane-10-carboxylate
CID 124647050
amino 2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168799
2-azabicyclo[2.1.1]hexan-5-yl(phenyl)methanone
CID 130787832
tert-butyl (1S,4R)-2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168945
[4-(2-azabicyclo[2.1.1]hexane-5-carbonyloxy)cyclohexyl] 2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168899
[3-(2-azabicyclo[2.1.1]hexane-5-carbonyloxy)cyclopentyl] 2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 177168804
(1S,4S)-2-azabicyclo[2.1.0]pentane
CID 29082085
(1R,4R)-2-azabicyclo[2.1.0]pentane
CID 29082087
1-(2-azabicyclo[2.1.1]hexan-5-yl)-3-methylbut-3-en-1-one
CID 130787831
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
(6-hydroxy-3-azabicyclo[3.1.1]heptan-3-yl)-pyrrolidin-2-ylmethanone
CID 121202172
[(1S,4R,7R)-2-azabicyclo[2.2.1]heptan-7-yl]-(1,4-diazepan-1-yl)methanone
CID 155497477

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 130856950) is 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone is O=C(C1C2CNC1C2)N1CC2CC2C1.
What is the InChIKey of 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is MLIZCUXLDNZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(10-6-2-9(10)12-3-6)13-4-7-1-8(7)5-13/h6-10,12H,1-5H2.
What are the key properties of 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone?
2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.1.1]hexan-5-yl(3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 130856950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).