1-azabicyclo[3.2.2]non-2-ene

C8H13N — CID 13410402

IUPAC1-azabicyclo[3.2.2]non-2-ene
SMILESC1=CN2CCC(C1)CC2
InChIInChI=1S/C8H13N/c1-2-8-3-6-9(5-1)7-4-8/h1,5,8H,2-4,6-7H2
InChIKeyFQWONNXULGFDFF-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.62
Rot. Bonds

About 1-azabicyclo[3.2.2]non-2-ene

1-azabicyclo[3.2.2]non-2-ene (PubChem CID 13410402) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]non-2-ene.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]non-2-ene
PubChem CID13410402
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1-azabicyclo[3.2.2]non-2-ene
SMILESC1=CN2CCC(C1)CC2
InChIInChI=1S/C8H13N/c1-2-8-3-6-9(5-1)7-4-8/h1,5,8H,2-4,6-7H2
InChIKeyFQWONNXULGFDFF-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Azabicyclo(2.2.2)oct-2-ene
CID 139645
4-Ethenyl-1-methylpiperidine
CID 10154055
1-[(E)-4-methylpent-1-enyl]piperidine
CID 13354324
1-Azabicyclo[3.2.2]non-3-ene
CID 13410401
1-Azabicyclo[3.3.1]non-2-ene
CID 21922696
5-Methyl-1-azabicyclo[2.2.2]oct-2-ene
CID 58732543
1,4-Dimethyl-2,3,4,5-tetrahydroazepine
CID 59015749
1-Azabicyclo[3.2.1]oct-6-ene
CID 68961815
1-(4-Methyl-1-pentenyl)piperidine
CID 86675030
1-(4-Ethyl-1-hexenyl)piperidine
CID 86675047
1-[(E)-4-ethylhex-1-enyl]piperidine
CID 89286652
1,3-Bis(ethenyl)piperidine
CID 121376484

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.2]non-2-ene?
The IUPAC name of 1-azabicyclo[3.2.2]non-2-ene (CID 13410402) is 1-azabicyclo[3.2.2]non-2-ene.
What is the SMILES notation for 1-azabicyclo[3.2.2]non-2-ene?
The canonical SMILES for 1-azabicyclo[3.2.2]non-2-ene is C1=CN2CCC(C1)CC2.
What is the InChIKey of 1-azabicyclo[3.2.2]non-2-ene?
The InChIKey is FQWONNXULGFDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-2-8-3-6-9(5-1)7-4-8/h1,5,8H,2-4,6-7H2.
What are the key properties of 1-azabicyclo[3.2.2]non-2-ene?
1-azabicyclo[3.2.2]non-2-ene has a molecular weight of 123.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]non-2-ene is sourced from PubChem (CID 13410402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).