6-methanimidoylcyclohexa-2,4-dien-1-imine

C7H8N2 — CID 166176910

IUPAC6-methanimidoylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C/C1C=CC=C/C1=N\[H]
InChIInChI=1S/C7H8N2/c8-5-6-3-1-2-4-7(6)9/h1-6,8-9H/b8-5+,9-7+
InChIKeyFKSXVDZLKAHZEX-OCIXRKKMSA-N
MW120.15 g/mol
LogP1.40
Rot. Bonds1

About 6-methanimidoylcyclohexa-2,4-dien-1-imine

6-methanimidoylcyclohexa-2,4-dien-1-imine (PubChem CID 166176910) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 6-methanimidoylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methanimidoylcyclohexa-2,4-dien-1-imine
PubChem CID166176910
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name6-methanimidoylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C/C1C=CC=C/C1=N\[H]
InChIInChI=1S/C7H8N2/c8-5-6-3-1-2-4-7(6)9/h1-6,8-9H/b8-5+,9-7+
InChIKeyFKSXVDZLKAHZEX-OCIXRKKMSA-N
XLogP1.40
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3aH-Indazole
CID 21057622
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Cyclohexa-2,4-dien-1-ylmethanimine
CID 19375494
4-Methanimidoylcyclohexa-2,4-dien-1-imine
CID 22338342
(5Z)-5-[(Z)-4-methylpent-2-enylidene]pyridazin-4-imine
CID 87310176
6-Methanimidoylcyclohexa-2,4-dien-1-amine
CID 88270295
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
6-[(Methylideneamino)methyl]cyclohexa-2,4-dien-1-imine
CID 89224592
(3E)-4-cyclopropylhexa-3,5-diene-1,2-diimine
CID 90243508
[(1R)-cyclohexa-2,4-dien-1-yl]methylidenehydrazine
CID 90274193
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanimine
CID 91543347
3-Ethenylhepta-3,5-diene-1,2-diimine
CID 123395606

Frequently Asked Questions

What is the IUPAC name of 6-methanimidoylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-methanimidoylcyclohexa-2,4-dien-1-imine (CID 166176910) is 6-methanimidoylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-methanimidoylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-methanimidoylcyclohexa-2,4-dien-1-imine is [H]/N=C/C1C=CC=C/C1=N\[H].
What is the InChIKey of 6-methanimidoylcyclohexa-2,4-dien-1-imine?
The InChIKey is FKSXVDZLKAHZEX-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H8N2/c8-5-6-3-1-2-4-7(6)9/h1-6,8-9H/b8-5+,9-7+.
What are the key properties of 6-methanimidoylcyclohexa-2,4-dien-1-imine?
6-methanimidoylcyclohexa-2,4-dien-1-imine has a molecular weight of 120.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 166176910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).