1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine

C10H10N2 — CID 130311120

IUPAC1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine
SMILESC=C/N=C1\C=CC=C\C1=N/C=C
InChIInChI=1S/C10H10N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h3-8H,1-2H2/b11-9+,12-10+
InChIKeyVZEQSYDJEXPQRO-WGDLNXRISA-N
MW158.20 g/mol
LogP2.28
Rot. Bonds2

About 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine

1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine (PubChem CID 130311120) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine
PubChem CID130311120
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine
SMILESC=C/N=C1\C=CC=C\C1=N/C=C
InChIInChI=1S/C10H10N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h3-8H,1-2H2/b11-9+,12-10+
InChIKeyVZEQSYDJEXPQRO-WGDLNXRISA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.28
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 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine (CID 130311120) is 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine is C=C/N=C1\C=CC=C\C1=N/C=C.
What is the InChIKey of 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is VZEQSYDJEXPQRO-WGDLNXRISA-N. The full InChI is InChI=1S/C10H10N2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h3-8H,1-2H2/b11-9+,12-10+.
What are the key properties of 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine?
1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 158.20 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(ethenyl)cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 130311120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).