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

C7H8N2 — CID 22338342

IUPAC4-methanimidoylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C/C1=CC/C(=N\[H])C=C1
InChIInChI=1S/C7H8N2/c8-5-6-1-3-7(9)4-2-6/h1-3,5,8-9H,4H2/b8-5+,9-7-
InChIKeyHVOYRBXYWDLYSM-KCGQVOQMSA-N
MW120.15 g/mol
LogP1.54
Rot. Bonds1

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

4-methanimidoylcyclohexa-2,4-dien-1-imine (PubChem CID 22338342) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 4-methanimidoylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-methanimidoylcyclohexa-2,4-dien-1-imine
PubChem CID22338342
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name4-methanimidoylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C/C1=CC/C(=N\[H])C=C1
InChIInChI=1S/C7H8N2/c8-5-6-1-3-7(9)4-2-6/h1-3,5,8-9H,4H2/b8-5+,9-7-
InChIKeyHVOYRBXYWDLYSM-KCGQVOQMSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methanimidoylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-methanimidoylcyclohexa-2,4-dien-1-imine (CID 22338342) is 4-methanimidoylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-methanimidoylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-methanimidoylcyclohexa-2,4-dien-1-imine is [H]/N=C/C1=CC/C(=N\[H])C=C1.
What is the InChIKey of 4-methanimidoylcyclohexa-2,4-dien-1-imine?
The InChIKey is HVOYRBXYWDLYSM-KCGQVOQMSA-N. The full InChI is InChI=1S/C7H8N2/c8-5-6-1-3-7(9)4-2-6/h1-3,5,8-9H,4H2/b8-5+,9-7-.
What are the key properties of 4-methanimidoylcyclohexa-2,4-dien-1-imine?
4-methanimidoylcyclohexa-2,4-dien-1-imine has a molecular weight of 120.15 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanimidoylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 22338342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).