1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine

C12H14N2 — CID 21290200

IUPAC1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
SMILESC=CCN=C1C=CC(=NCC=C)C=C1
InChIInChI=1S/C12H14N2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-8H,1-2,9-10H2/b13-11-,14-12+
InChIKeyOTZGOZSCRYZELN-HEEUSZRZSA-N
MW186.26 g/mol
LogP2.37
Rot. Bonds4

About 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine

1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine (PubChem CID 21290200) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
PubChem CID21290200
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine
SMILESC=CCN=C1C=CC(=NCC=C)C=C1
InChIInChI=1S/C12H14N2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-8H,1-2,9-10H2/b13-11-,14-12+
InChIKeyOTZGOZSCRYZELN-HEEUSZRZSA-N
XLogP2.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine (CID 21290200) is 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine is C=CCN=C1C=CC(=NCC=C)C=C1.
What is the InChIKey of 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
The InChIKey is OTZGOZSCRYZELN-HEEUSZRZSA-N. The full InChI is InChI=1S/C12H14N2/c1-3-9-13-11-5-7-12(8-6-11)14-10-4-2/h3-8H,1-2,9-10H2/b13-11-,14-12+.
What are the key properties of 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine?
1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine has a molecular weight of 186.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(prop-2-enyl)cyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 21290200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).