2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine

C9H10N2 — CID 142238523

IUPAC2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
SMILESC=C/N=C1\C=CC=C\C1=N/C
InChIInChI=1S/C9H10N2/c1-3-11-9-7-5-4-6-8(9)10-2/h3-7H,1H2,2H3/b10-8+,11-9+
InChIKeyLMJBXFIHTMZIFN-GFULKKFKSA-N
MW146.19 g/mol
LogP1.77
Rot. Bonds1

About 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine

2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 142238523) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
PubChem CID142238523
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine
SMILESC=C/N=C1\C=CC=C\C1=N/C
InChIInChI=1S/C9H10N2/c1-3-11-9-7-5-4-6-8(9)10-2/h3-7H,1H2,2H3/b10-8+,11-9+
InChIKeyLMJBXFIHTMZIFN-GFULKKFKSA-N
XLogP1.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine (CID 142238523) is 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine is C=C/N=C1\C=CC=C\C1=N/C.
What is the InChIKey of 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is LMJBXFIHTMZIFN-GFULKKFKSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-11-9-7-5-4-6-8(9)10-2/h3-7H,1H2,2H3/b10-8+,11-9+.
What are the key properties of 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine?
2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 146.19 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-1-N-methylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 142238523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).