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

C8H15N3 — CID 177134452

IUPAC(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen
SMILESC/C=C1/NC=N/C1=N\CCC.[H][H]
InChIInChI=1S/C8H13N3.H2/c1-3-5-9-8-7(4-2)10-6-11-8;/h4,6H,3,5H2,1-2H3,(H,9,10,11);1H/b7-4+;
InChIKeyDJPKKJWHHZLJGE-KQGICBIGSA-N
MW153.23 g/mol
LogP1.58
Rot. Bonds2

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

(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen (PubChem CID 177134452) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen.

Molecular Properties

Compound Name(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen
PubChem CID177134452
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen
SMILESC/C=C1/NC=N/C1=N\CCC.[H][H]
InChIInChI=1S/C8H13N3.H2/c1-3-5-9-8-7(4-2)10-6-11-8;/h4,6H,3,5H2,1-2H3,(H,9,10,11);1H/b7-4+;
InChIKeyDJPKKJWHHZLJGE-KQGICBIGSA-N
XLogP1.58
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.58
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;molecular hydrogen?
The IUPAC name of (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen (CID 177134452) is (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen.
What is the SMILES notation for (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen?
The canonical SMILES for (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen is C/C=C1/NC=N/C1=N\CCC.[H][H].
What is the InChIKey of (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen?
The InChIKey is DJPKKJWHHZLJGE-KQGICBIGSA-N. The full InChI is InChI=1S/C8H13N3.H2/c1-3-5-9-8-7(4-2)10-6-11-8;/h4,6H,3,5H2,1-2H3,(H,9,10,11);1H/b7-4+;.
What are the key properties of (5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen?
(5E)-5-ethylidene-N-propyl-1H-imidazol-4-imine;molecular hydrogen has a molecular weight of 153.23 g/mol, XLogP of 1.58, 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;molecular hydrogen is sourced from PubChem (CID 177134452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).