1-azacyclonona-5,6,7,8,9-pentaene

C8H7N — CID 141429820

IUPAC1-azacyclonona-5,6,7,8,9-pentaene
SMILESC1=C=C=NCCCC=C=1
InChIInChI=1S/C8H7N/c1-2-4-6-8-9-7-5-3-1/h1H,3,5,7H2
InChIKeyFPENAIXPYRQAPB-UHFFFAOYSA-N
MW117.15 g/mol
LogP1.47
Rot. Bonds

About 1-azacyclonona-5,6,7,8,9-pentaene

1-azacyclonona-5,6,7,8,9-pentaene (PubChem CID 141429820) has the molecular formula C8H7N and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-azacyclonona-5,6,7,8,9-pentaene.

Molecular Properties

Compound Name1-azacyclonona-5,6,7,8,9-pentaene
PubChem CID141429820
Molecular FormulaC8H7N
Molecular Weight117.15 g/mol
Exact Mass117.06
IUPAC Name1-azacyclonona-5,6,7,8,9-pentaene
SMILESC1=C=C=NCCCC=C=1
InChIInChI=1S/C8H7N/c1-2-4-6-8-9-7-5-3-1/h1H,3,5,7H2
InChIKeyFPENAIXPYRQAPB-UHFFFAOYSA-N
XLogP1.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,4-dihydro-2H-pyridine
CID 57113340
N-propylpent-1-en-1-imine
CID 88133637
N-butylhexa-1,2-dien-1-imine
CID 123621591
1-Azacyclonona-4,5,8,9-tetraene
CID 163965113

Frequently Asked Questions

What is the IUPAC name of 1-azacyclonona-5,6,7,8,9-pentaene?
The IUPAC name of 1-azacyclonona-5,6,7,8,9-pentaene (CID 141429820) is 1-azacyclonona-5,6,7,8,9-pentaene.
What is the SMILES notation for 1-azacyclonona-5,6,7,8,9-pentaene?
The canonical SMILES for 1-azacyclonona-5,6,7,8,9-pentaene is C1=C=C=NCCCC=C=1.
What is the InChIKey of 1-azacyclonona-5,6,7,8,9-pentaene?
The InChIKey is FPENAIXPYRQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N/c1-2-4-6-8-9-7-5-3-1/h1H,3,5,7H2.
What are the key properties of 1-azacyclonona-5,6,7,8,9-pentaene?
1-azacyclonona-5,6,7,8,9-pentaene has a molecular weight of 117.15 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azacyclonona-5,6,7,8,9-pentaene is sourced from PubChem (CID 141429820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).