ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine

C8H13N3 — CID 171622679

IUPACethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine
SMILESC=C/N=C1\N=CNC1=C.CC
InChIInChI=1S/C6H7N3.C2H6/c1-3-7-6-5(2)8-4-9-6;1-2/h3-4H,1-2H2,(H,7,8,9);1-2H3
InChIKeyXKTQVBHCYAQJFE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds1

About ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine

ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine (PubChem CID 171622679) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Nameethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine
PubChem CID171622679
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Nameethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine
SMILESC=C/N=C1\N=CNC1=C.CC
InChIInChI=1S/C6H7N3.C2H6/c1-3-7-6-5(2)8-4-9-6;1-2/h3-4H,1-2H2,(H,7,8,9);1-2H3
InChIKeyXKTQVBHCYAQJFE-UHFFFAOYSA-N
XLogP1.70
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
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

1-ethyl-5H-pteridine
CID 20535714
2-Ethyl-1-methyl-2,7-dihydropurine
CID 70179017
(E)-2,3-diamino-N,N'-bis(ethenyl)but-2-enimidamide
CID 88944307
(5Z)-5-(1-chloroethylidene)-N-ethenylimidazol-4-amine
CID 89509482
N-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
N-ethenyl-2-ethenyliminopyrrol-3-amine
CID 123774889
2,5,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129034702
N-ethenyl-2-methyliminopyrrol-3-amine
CID 134292836
N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
CID 136596177
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
CID 137220482
(5E)-N-ethenyl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 137230776

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine?
The IUPAC name of ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine (CID 171622679) is ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine.
What is the SMILES notation for ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine?
The canonical SMILES for ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine is C=C/N=C1\N=CNC1=C.CC.
What is the InChIKey of ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine?
The InChIKey is XKTQVBHCYAQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3.C2H6/c1-3-7-6-5(2)8-4-9-6;1-2/h3-4H,1-2H2,(H,7,8,9);1-2H3.
What are the key properties of ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine?
ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine has a molecular weight of 151.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-5-methylidene-1H-imidazol-4-imine is sourced from PubChem (CID 171622679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).