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

C7H9N3 — CID 137157877

IUPAC(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC=N/C1=N\C
InChIInChI=1S/C7H9N3/c1-3-4-6-7(8-2)10-5-9-6/h3-5H,1H2,2H3,(H,8,9,10)/b6-4+
InChIKeyXYAHFDSCBKSQHH-GQCTYLIASA-N
MW135.17 g/mol
LogP0.72
Rot. Bonds1

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

(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine (PubChem CID 137157877) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine
PubChem CID137157877
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine
SMILESC=C/C=C1/NC=N/C1=N\C
InChIInChI=1S/C7H9N3/c1-3-4-6-7(8-2)10-5-9-6/h3-5H,1H2,2H3,(H,8,9,10)/b6-4+
InChIKeyXYAHFDSCBKSQHH-GQCTYLIASA-N
XLogP0.72
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4H-imidazo[4,5-b]pyridin-4-ium
CID 165117308
(5E)-5-[(2Z)-penta-2,4-dienylidene]-1,4-dihydroimidazole
CID 88228822
(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazole
CID 88244269
(E)-[(4E)-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88544990
(Z,3E)-3-(5-methylidene-1H-imidazol-4-ylidene)prop-1-en-1-amine
CID 88947542
(4E,5E)-4,5-di(ethylidene)-1H-imidazole
CID 90084299
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 123668500
1H-cycloocta[d]imidazole
CID 123886935
(4E)-4-but-2-enylidene-5-methylidene-1H-imidazole
CID 124018396
(2E)-N-ethenyl-N'-methyl-2-(methylamino)penta-2,4-dienimidamide
CID 126510332
(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazole
CID 126759892
(4E)-4-ethylidene-5-methylidene-1H-imidazole
CID 130181806

Frequently Asked Questions

What is the IUPAC name of (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine?
The IUPAC name of (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine (CID 137157877) is (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine?
The canonical SMILES for (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine is C=C/C=C1/NC=N/C1=N\C.
What is the InChIKey of (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine?
The InChIKey is XYAHFDSCBKSQHH-GQCTYLIASA-N. The full InChI is InChI=1S/C7H9N3/c1-3-4-6-7(8-2)10-5-9-6/h3-5H,1H2,2H3,(H,8,9,10)/b6-4+.
What are the key properties of (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine?
(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine has a molecular weight of 135.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine is sourced from PubChem (CID 137157877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).