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

C11H15N3 — CID 137204257

IUPAC(5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC(C(C)C)=N/C1=N\C=C
InChIInChI=1S/C11H15N3/c1-5-7-9-11(12-6-2)14-10(13-9)8(3)4/h5-8H,1-2H2,3-4H3,(H,12,13,14)/b9-7+
InChIKeyHXIXRYLAHJDBMH-VQHVLOKHSA-N
MW189.26 g/mol
LogP2.26
Rot. Bonds3

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

(5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine (PubChem CID 137204257) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
PubChem CID137204257
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC(C(C)C)=N/C1=N\C=C
InChIInChI=1S/C11H15N3/c1-5-7-9-11(12-6-2)14-10(13-9)8(3)4/h5-8H,1-2H2,3-4H3,(H,12,13,14)/b9-7+
InChIKeyHXIXRYLAHJDBMH-VQHVLOKHSA-N
XLogP2.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.26
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-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
The IUPAC name of (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine (CID 137204257) is (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
The canonical SMILES for (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine is C=C/C=C1/NC(C(C)C)=N/C1=N\C=C.
What is the InChIKey of (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
The InChIKey is HXIXRYLAHJDBMH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H15N3/c1-5-7-9-11(12-6-2)14-10(13-9)8(3)4/h5-8H,1-2H2,3-4H3,(H,12,13,14)/b9-7+.
What are the key properties of (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine?
(5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine has a molecular weight of 189.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-ethenyl-2-propan-2-yl-5-prop-2-enylidene-1H-imidazol-4-imine is sourced from PubChem (CID 137204257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).