1-ethenylimidazole;prop-2-enoic acid

C8H10N2O2 — CID 141098745

IUPAC1-ethenylimidazole;prop-2-enoic acid
SMILESC=CC(=O)O.C=Cn1ccnc1
InChIInChI=1S/C5H6N2.C3H4O2/c1-2-7-4-3-6-5-7;1-2-3(4)5/h2-5H,1H2;2H,1H2,(H,4,5)
InChIKeyFINOWHNRHBUUDP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.24
Rot. Bonds2

About 1-ethenylimidazole;prop-2-enoic acid

1-ethenylimidazole;prop-2-enoic acid (PubChem CID 141098745) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-ethenylimidazole;prop-2-enoic acid.

Molecular Properties

Compound Name1-ethenylimidazole;prop-2-enoic acid
PubChem CID141098745
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-ethenylimidazole;prop-2-enoic acid
SMILESC=CC(=O)O.C=Cn1ccnc1
InChIInChI=1S/C5H6N2.C3H4O2/c1-2-7-4-3-6-5-7;1-2-3(4)5/h2-5H,1H2;2H,1H2,(H,4,5)
InChIKeyFINOWHNRHBUUDP-UHFFFAOYSA-N
XLogP1.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-1-yl)propanoic acid
CID 2794718
1-Ethyl-3-methylimidazolium acetate
CID 11658353
(2E,4E)-8-imidazol-1-ylocta-2,4-dienoic acid;hydrochloride
CID 12870485
(2E,6Z)-8-imidazol-1-ylocta-2,6-dienoic acid;hydrochloride
CID 45259312
1-Butyl-3-methylimidazolium Acetate
CID 15953398
1H-Imidazolium, 1,3-diethyl-, acetate (1:1)
CID 86673486
1,3-Dimethylimidazolium acetate
CID 87103605
ethyl (Z)-3-imidazol-1-ylprop-2-enoate
CID 46176790
1-Ethyl-3-methyl-1H-imidazol-3-ium hydrogen carbonate
CID 57356863
1-Ethenylimidazole;methyl 2-methylprop-2-enoate
CID 70426710
2-((1H-imidazol-1-yl)methyl)prop-2-enoic acid
CID 64116267
3-(3-Methylimidazol-3-ium-1-yl)propanoic acid
CID 11700941

Frequently Asked Questions

What is the IUPAC name of 1-ethenylimidazole;prop-2-enoic acid?
The IUPAC name of 1-ethenylimidazole;prop-2-enoic acid (CID 141098745) is 1-ethenylimidazole;prop-2-enoic acid.
What is the SMILES notation for 1-ethenylimidazole;prop-2-enoic acid?
The canonical SMILES for 1-ethenylimidazole;prop-2-enoic acid is C=CC(=O)O.C=Cn1ccnc1.
What is the InChIKey of 1-ethenylimidazole;prop-2-enoic acid?
The InChIKey is FINOWHNRHBUUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.C3H4O2/c1-2-7-4-3-6-5-7;1-2-3(4)5/h2-5H,1H2;2H,1H2,(H,4,5).
What are the key properties of 1-ethenylimidazole;prop-2-enoic acid?
1-ethenylimidazole;prop-2-enoic acid has a molecular weight of 166.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylimidazole;prop-2-enoic acid is sourced from PubChem (CID 141098745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).