(4-iminocyclohexa-2,5-dien-1-ylidene)azanium

C6H7N2+ — CID 22983322

IUPAC(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
SMILES[H]N=C1C=CC(=[NH2+])C=C1
InChIInChI=1S/C6H6N2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/p+1/b7-5-,8-6?
InChIKeyACFNYGLBKAZUDY-WDFIMKRQSA-O
MW107.14 g/mol
LogP-0.67
Rot. Bonds

About (4-iminocyclohexa-2,5-dien-1-ylidene)azanium

(4-iminocyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 22983322) has the molecular formula C6H7N2+ and a molecular weight of 107.14 g/mol. Its IUPAC name is (4-iminocyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Name(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID22983322
Molecular FormulaC6H7N2+
Molecular Weight107.14 g/mol
Exact Mass107.06
IUPAC Name(4-iminocyclohexa-2,5-dien-1-ylidene)azanium
SMILES[H]N=C1C=CC(=[NH2+])C=C1
InChIInChI=1S/C6H6N2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/p+1/b7-5-,8-6?
InChIKeyACFNYGLBKAZUDY-WDFIMKRQSA-O
XLogP-0.67
TPSA49.44 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.14
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of (4-iminocyclohexa-2,5-dien-1-ylidene)azanium (CID 22983322) is (4-iminocyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for (4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for (4-iminocyclohexa-2,5-dien-1-ylidene)azanium is [H]N=C1C=CC(=[NH2+])C=C1.
What is the InChIKey of (4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is ACFNYGLBKAZUDY-WDFIMKRQSA-O. The full InChI is InChI=1S/C6H6N2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H/p+1/b7-5-,8-6?.
What are the key properties of (4-iminocyclohexa-2,5-dien-1-ylidene)azanium?
(4-iminocyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 107.14 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iminocyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 22983322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).