(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine

C11H17N3 — CID 176528740

IUPAC(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine
SMILESC/C=C\N=C1\NC(CCC)=N\C1=C\C
InChIInChI=1S/C11H17N3/c1-4-7-10-13-9(6-3)11(14-10)12-8-5-2/h5-6,8H,4,7H2,1-3H3,(H,12,13,14)/b8-5-,9-6+
InChIKeyVPAIXUAGMJBNEH-LDFAFZTOSA-N
MW191.28 g/mol
LogP2.62
Rot. Bonds3

About (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine

(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine (PubChem CID 176528740) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine.

Molecular Properties

Compound Name(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine
PubChem CID176528740
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine
SMILESC/C=C\N=C1\NC(CCC)=N\C1=C\C
InChIInChI=1S/C11H17N3/c1-4-7-10-13-9(6-3)11(14-10)12-8-5-2/h5-6,8H,4,7H2,1-3H3,(H,12,13,14)/b8-5-,9-6+
InChIKeyVPAIXUAGMJBNEH-LDFAFZTOSA-N
XLogP2.62
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.62
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 (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine?
The IUPAC name of (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine (CID 176528740) is (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine.
What is the SMILES notation for (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine?
The canonical SMILES for (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine is C/C=C\N=C1\NC(CCC)=N\C1=C\C.
What is the InChIKey of (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine?
The InChIKey is VPAIXUAGMJBNEH-LDFAFZTOSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-7-10-13-9(6-3)11(14-10)12-8-5-2/h5-6,8H,4,7H2,1-3H3,(H,12,13,14)/b8-5-,9-6+.
What are the key properties of (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine?
(4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine has a molecular weight of 191.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-N-[(Z)-prop-1-enyl]-2-propyl-1H-imidazol-5-imine is sourced from PubChem (CID 176528740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).