2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane

C44H80N6 — CID 158715578

IUPAC2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane
SMILESC1=CCC2CCC2NC1.C1CC2CCC1CN2.C1CCC2CCC2NC1.C1CCN2CCC2C1.C1CN2CCC1CC2.C1CNC2CCC2C1
InChIInChI=1S/C8H15N.C8H13N.4C7H13N/c2*1-2-6-9-8-5-4-7(8)3-1;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-3-4-7(6)8-5-1;1-2-5-8-6-4-7(8)3-1/h7-9H,1-6H2;1-2,7-9H,3-6H2;7H,1-6H2;2*6-8H,1-5H2;7H,1-6H2
InChIKeyIJGNRHGCQJSNJL-UHFFFAOYSA-N
MW693.17 g/mol
LogP7.50
Rot. Bonds

About 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane

2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane (PubChem CID 158715578) has the molecular formula C44H80N6 and a molecular weight of 693.17 g/mol. Its IUPAC name is 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane
PubChem CID158715578
Molecular FormulaC44H80N6
Molecular Weight693.17 g/mol
Exact Mass692.64
IUPAC Name2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane
SMILESC1=CCC2CCC2NC1.C1CC2CCC1CN2.C1CCC2CCC2NC1.C1CCN2CCC2C1.C1CN2CCC1CC2.C1CNC2CCC2C1
InChIInChI=1S/C8H15N.C8H13N.4C7H13N/c2*1-2-6-9-8-5-4-7(8)3-1;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-3-4-7(6)8-5-1;1-2-5-8-6-4-7(8)3-1/h7-9H,1-6H2;1-2,7-9H,3-6H2;7H,1-6H2;2*6-8H,1-5H2;7H,1-6H2
InChIKeyIJGNRHGCQJSNJL-UHFFFAOYSA-N
XLogP7.50
TPSA54.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.17
LogP ≤ 57.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane with MolForge

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Related Compounds

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CID 103887131
6-(3-cyclopropylcyclohexyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678719
6-cyclobutyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane?
The IUPAC name of 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane (CID 158715578) is 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane.
What is the SMILES notation for 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane?
The canonical SMILES for 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane is C1=CCC2CCC2NC1.C1CC2CCC1CN2.C1CCC2CCC2NC1.C1CCN2CCC2C1.C1CN2CCC1CC2.C1CNC2CCC2C1.
What is the InChIKey of 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane?
The InChIKey is IJGNRHGCQJSNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C8H13N.4C7H13N/c2*1-2-6-9-8-5-4-7(8)3-1;1-4-8-5-2-7(1)3-6-8;1-3-7-4-2-6(1)5-8-7;1-2-6-3-4-7(6)8-5-1;1-2-5-8-6-4-7(8)3-1/h7-9H,1-6H2;1-2,7-9H,3-6H2;7H,1-6H2;2*6-8H,1-5H2;7H,1-6H2.
What are the key properties of 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane?
2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane has a molecular weight of 693.17 g/mol, XLogP of 7.50, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[5.2.0]nonane;2-azabicyclo[5.2.0]non-4-ene;1-azabicyclo[2.2.2]octane;1-azabicyclo[4.2.0]octane;2-azabicyclo[2.2.2]octane;2-azabicyclo[4.2.0]octane is sourced from PubChem (CID 158715578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).