ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine

C9H15N3 — CID 157028997

IUPACethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine
SMILESC=C/N=C1\N=CN\C1=C\C.CC
InChIInChI=1S/C7H9N3.C2H6/c1-3-6-7(8-4-2)10-5-9-6;1-2/h3-5H,2H2,1H3,(H,8,9,10);1-2H3/b6-3+;
InChIKeyNQIWTGQASOMTRA-ZIKNSQGESA-N
MW165.24 g/mol
LogP2.09
Rot. Bonds1

About ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine

ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine (PubChem CID 157028997) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Nameethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine
PubChem CID157028997
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Nameethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine
SMILESC=C/N=C1\N=CN\C1=C\C.CC
InChIInChI=1S/C7H9N3.C2H6/c1-3-6-7(8-4-2)10-5-9-6;1-2/h3-5H,2H2,1H3,(H,8,9,10);1-2H3/b6-3+;
InChIKeyNQIWTGQASOMTRA-ZIKNSQGESA-N
XLogP2.09
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
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 ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine?
The IUPAC name of ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine (CID 157028997) is ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine.
What is the SMILES notation for ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine?
The canonical SMILES for ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine is C=C/N=C1\N=CN\C1=C\C.CC.
What is the InChIKey of ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine?
The InChIKey is NQIWTGQASOMTRA-ZIKNSQGESA-N. The full InChI is InChI=1S/C7H9N3.C2H6/c1-3-6-7(8-4-2)10-5-9-6;1-2/h3-5H,2H2,1H3,(H,8,9,10);1-2H3/b6-3+;.
What are the key properties of ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine?
ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine has a molecular weight of 165.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-N-ethenyl-5-ethylidene-1H-imidazol-4-imine is sourced from PubChem (CID 157028997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).