(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine

C8H9N3 — CID 137230776

IUPAC(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC=N/C1=N\C=C
InChIInChI=1S/C8H9N3/c1-3-5-7-8(9-4-2)11-6-10-7/h3-6H,1-2H2,(H,9,10,11)/b7-5+
InChIKeyYJHGYPJNRASFMJ-FNORWQNLSA-N
MW147.18 g/mol
LogP1.23
Rot. Bonds2

About (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine

(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine (PubChem CID 137230776) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine
PubChem CID137230776
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC=N/C1=N\C=C
InChIInChI=1S/C8H9N3/c1-3-5-7-8(9-4-2)11-6-10-7/h3-6H,1-2H2,(H,9,10,11)/b7-5+
InChIKeyYJHGYPJNRASFMJ-FNORWQNLSA-N
XLogP1.23
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.23
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)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine?
The IUPAC name of (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine (CID 137230776) is (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine?
The canonical SMILES for (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine is C=C/C=C1/NC=N/C1=N\C=C.
What is the InChIKey of (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine?
The InChIKey is YJHGYPJNRASFMJ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-5-7-8(9-4-2)11-6-10-7/h3-6H,1-2H2,(H,9,10,11)/b7-5+.
What are the key properties of (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine?
(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine has a molecular weight of 147.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine is sourced from PubChem (CID 137230776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).