1-azacyclonona-4,5,8,9-tetraene

C8H9N — CID 163965113

IUPAC1-azacyclonona-4,5,8,9-tetraene
SMILESC1=CCC=C=NCCC=1
InChIInChI=1S/C8H9N/c1-2-4-6-8-9-7-5-3-1/h1,4-5H,3,6,8H2
InChIKeySKZXGQRSRRAEAN-UHFFFAOYSA-N
MW119.17 g/mol
LogP1.72
Rot. Bonds

About 1-azacyclonona-4,5,8,9-tetraene

1-azacyclonona-4,5,8,9-tetraene (PubChem CID 163965113) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is 1-azacyclonona-4,5,8,9-tetraene.

Molecular Properties

Compound Name1-azacyclonona-4,5,8,9-tetraene
PubChem CID163965113
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name1-azacyclonona-4,5,8,9-tetraene
SMILESC1=CCC=C=NCCC=1
InChIInChI=1S/C8H9N/c1-2-4-6-8-9-7-5-3-1/h1,4-5H,3,6,8H2
InChIKeySKZXGQRSRRAEAN-UHFFFAOYSA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azacyclonona-4,5,8,9-tetraene?
The IUPAC name of 1-azacyclonona-4,5,8,9-tetraene (CID 163965113) is 1-azacyclonona-4,5,8,9-tetraene.
What is the SMILES notation for 1-azacyclonona-4,5,8,9-tetraene?
The canonical SMILES for 1-azacyclonona-4,5,8,9-tetraene is C1=CCC=C=NCCC=1.
What is the InChIKey of 1-azacyclonona-4,5,8,9-tetraene?
The InChIKey is SKZXGQRSRRAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N/c1-2-4-6-8-9-7-5-3-1/h1,4-5H,3,6,8H2.
What are the key properties of 1-azacyclonona-4,5,8,9-tetraene?
1-azacyclonona-4,5,8,9-tetraene has a molecular weight of 119.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclonona-4,5,8,9-tetraene is sourced from PubChem (CID 163965113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).