(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene

C8H5N — CID 164670262

IUPAC(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene
SMILESC1=C=C/C=C\N=C=CC=1
InChIInChI=1S/C8H5N/c1-2-4-6-8-9-7-5-3-1/h3-7H/b4-3-,7-5-
InChIKeyVQGXLZVVESPLCP-MRWCJKGFSA-N
MW115.13 g/mol
LogP1.61
Rot. Bonds

About (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene

(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene (PubChem CID 164670262) has the molecular formula C8H5N and a molecular weight of 115.13 g/mol. Its IUPAC name is (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene.

Molecular Properties

Compound Name(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene
PubChem CID164670262
Molecular FormulaC8H5N
Molecular Weight115.13 g/mol
Exact Mass115.04
IUPAC Name(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene
SMILESC1=C=C/C=C\N=C=CC=1
InChIInChI=1S/C8H5N/c1-2-4-6-8-9-7-5-3-1/h3-7H/b4-3-,7-5-
InChIKeyVQGXLZVVESPLCP-MRWCJKGFSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene?
The IUPAC name of (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene (CID 164670262) is (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene.
What is the SMILES notation for (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene?
The canonical SMILES for (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene is C1=C=C/C=C\N=C=CC=1.
What is the InChIKey of (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene?
The InChIKey is VQGXLZVVESPLCP-MRWCJKGFSA-N. The full InChI is InChI=1S/C8H5N/c1-2-4-6-8-9-7-5-3-1/h3-7H/b4-3-,7-5-.
What are the key properties of (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene?
(2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene has a molecular weight of 115.13 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-azacyclonona-2,4,5,6,8,9-hexaene is sourced from PubChem (CID 164670262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).