acetonitrile;1-ethenylimidazole

C7H9N3 — CID 175188267

IUPACacetonitrile;1-ethenylimidazole
SMILESC=Cn1ccnc1.CC#N
InChIInChI=1S/C5H6N2.C2H3N/c1-2-7-4-3-6-5-7;1-2-3/h2-5H,1H2;1H3
InChIKeyNNVYEVRPPXTTHP-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds1

About acetonitrile;1-ethenylimidazole

acetonitrile;1-ethenylimidazole (PubChem CID 175188267) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is acetonitrile;1-ethenylimidazole.

Molecular Properties

Compound Nameacetonitrile;1-ethenylimidazole
PubChem CID175188267
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Nameacetonitrile;1-ethenylimidazole
SMILESC=Cn1ccnc1.CC#N
InChIInChI=1S/C5H6N2.C2H3N/c1-2-7-4-3-6-5-7;1-2-3/h2-5H,1H2;1H3
InChIKeyNNVYEVRPPXTTHP-UHFFFAOYSA-N
XLogP1.51
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(1-ethenylimidazole);tetrahydrofluoride
CID 173041654
magnesium;1-ethenylimidazole;hydride;hydrochloride
CID 174736374
octakis(1-ethenylimidazole);bis(nickel(2+));tetraisothiocyanate
CID 139072947
1-ethenylimidazole;hydrogen sulfite
CID 174466052
1-ethenylimidazole;2-imidazol-1-ylethanol
CID 161193576
1-ethenylimidazole;4-ethenyl-5-methylimidazol-2-one
CID 174665933
1-ethenylimidazole;2-hydroxyethyl 2-methylprop-2-enoate
CID 70536973
1-ethenylimidazole;1-hydroxyethyl 2-methylprop-2-enoate
CID 139906170
CID 88514955
CID 88514955
imidazol-1-ylmethylidenetungsten
CID 155786244
imidazole-1-carbaldehyde
CID 11083832
1-penta-1,4-dienylimidazole
CID 66665708

Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-ethenylimidazole?
The IUPAC name of acetonitrile;1-ethenylimidazole (CID 175188267) is acetonitrile;1-ethenylimidazole.
What is the SMILES notation for acetonitrile;1-ethenylimidazole?
The canonical SMILES for acetonitrile;1-ethenylimidazole is C=Cn1ccnc1.CC#N.
What is the InChIKey of acetonitrile;1-ethenylimidazole?
The InChIKey is NNVYEVRPPXTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C2H3N/c1-2-7-4-3-6-5-7;1-2-3/h2-5H,1H2;1H3.
What are the key properties of acetonitrile;1-ethenylimidazole?
acetonitrile;1-ethenylimidazole has a molecular weight of 135.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-ethenylimidazole is sourced from PubChem (CID 175188267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).