(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine

C8H13N3 — CID 177134453

IUPAC(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine
SMILESC/C=C1/NC=N/C1=N\CCC
InChIInChI=1S/C8H13N3/c1-3-5-9-8-7(4-2)10-6-11-8/h4,6H,3,5H2,1-2H3,(H,9,10,11)/b7-4+
InChIKeyCTTZDGNWUFKPLK-QPJJXVBHSA-N
MW151.21 g/mol
LogP1.33
Rot. Bonds2

About (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine

(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine (PubChem CID 177134453) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine
PubChem CID177134453
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine
SMILESC/C=C1/NC=N/C1=N\CCC
InChIInChI=1S/C8H13N3/c1-3-5-9-8-7(4-2)10-6-11-8/h4,6H,3,5H2,1-2H3,(H,9,10,11)/b7-4+
InChIKeyCTTZDGNWUFKPLK-QPJJXVBHSA-N
XLogP1.33
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.33
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 (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine?
The IUPAC name of (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine (CID 177134453) is (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine?
The canonical SMILES for (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine is C/C=C1/NC=N/C1=N\CCC.
What is the InChIKey of (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine?
The InChIKey is CTTZDGNWUFKPLK-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-5-9-8-7(4-2)10-6-11-8/h4,6H,3,5H2,1-2H3,(H,9,10,11)/b7-4+.
What are the key properties of (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine?
(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine has a molecular weight of 151.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine is sourced from PubChem (CID 177134453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).