4-azabicyclo[5.2.0]nona-2,4-diene

C8H11N — CID 123357479

IUPAC4-azabicyclo[5.2.0]nona-2,4-diene
SMILESC1=CC2CCC2CC=N1
InChIInChI=1S/C8H11N/c1-2-8-4-6-9-5-3-7(1)8/h3,5-8H,1-2,4H2
InChIKeyDZSDHLXMJWWWPE-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.00
Rot. Bonds

About 4-azabicyclo[5.2.0]nona-2,4-diene

4-azabicyclo[5.2.0]nona-2,4-diene (PubChem CID 123357479) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-azabicyclo[5.2.0]nona-2,4-diene.

Molecular Properties

Compound Name4-azabicyclo[5.2.0]nona-2,4-diene
PubChem CID123357479
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-azabicyclo[5.2.0]nona-2,4-diene
SMILESC1=CC2CCC2CC=N1
InChIInChI=1S/C8H11N/c1-2-8-4-6-9-5-3-7(1)8/h3,5-8H,1-2,4H2
InChIKeyDZSDHLXMJWWWPE-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-azabicyclo[5.2.0]nona-2,4-diene?
The IUPAC name of 4-azabicyclo[5.2.0]nona-2,4-diene (CID 123357479) is 4-azabicyclo[5.2.0]nona-2,4-diene.
What is the SMILES notation for 4-azabicyclo[5.2.0]nona-2,4-diene?
The canonical SMILES for 4-azabicyclo[5.2.0]nona-2,4-diene is C1=CC2CCC2CC=N1.
What is the InChIKey of 4-azabicyclo[5.2.0]nona-2,4-diene?
The InChIKey is DZSDHLXMJWWWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-2-8-4-6-9-5-3-7(1)8/h3,5-8H,1-2,4H2.
What are the key properties of 4-azabicyclo[5.2.0]nona-2,4-diene?
4-azabicyclo[5.2.0]nona-2,4-diene has a molecular weight of 121.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azabicyclo[5.2.0]nona-2,4-diene is sourced from PubChem (CID 123357479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).