acetic acid;1-ethenyl-3-methyl-2H-imidazole

C8H14N2O2 — CID 174673019

IUPACacetic acid;1-ethenyl-3-methyl-2H-imidazole
SMILESC=CN1C=CN(C)C1.CC(=O)O
InChIInChI=1S/C6H10N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h3-5H,1,6H2,2H3;1H3,(H,3,4)
InChIKeyUVQPACCJFWWCEB-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.90
Rot. Bonds1

About acetic acid;1-ethenyl-3-methyl-2H-imidazole

acetic acid;1-ethenyl-3-methyl-2H-imidazole (PubChem CID 174673019) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is acetic acid;1-ethenyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Nameacetic acid;1-ethenyl-3-methyl-2H-imidazole
PubChem CID174673019
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameacetic acid;1-ethenyl-3-methyl-2H-imidazole
SMILESC=CN1C=CN(C)C1.CC(=O)O
InChIInChI=1S/C6H10N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h3-5H,1,6H2,2H3;1H3,(H,3,4)
InChIKeyUVQPACCJFWWCEB-UHFFFAOYSA-N
XLogP0.90
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethenyl-3-methyl-2H-imidazole;trifluoromethanesulfonamide
CID 174794926
1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
5-(3-ethenyl-2H-imidazol-1-yl)-2-methylpent-2-enoic acid
CID 174665724
1,3-bis(ethenyl)-2H-imidazole;hydrochloride
CID 175397950
3-methyl-2H-imidazole-1-carboxylic acid
CID 154232993
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrobromide
CID 174844241
1-(3-methyl-2H-imidazol-1-yl)ethanone;hydrochloride
CID 173453785
methyl 3-ethenyl-2H-imidazole-1-carboxylate
CID 170944122
1-ethenyl-3-ethyl-2H-imidazole;2-methylprop-2-enoic acid;tetrafluoroborate
CID 174865010
1-decyl-3-ethenyl-2H-imidazole;prop-2-enoic acid;hydrobromide
CID 175052158
acetic acid;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 172844057
5-(3-ethenyl-2H-imidazol-1-yl)pentanamide
CID 174918742

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethenyl-3-methyl-2H-imidazole?
The IUPAC name of acetic acid;1-ethenyl-3-methyl-2H-imidazole (CID 174673019) is acetic acid;1-ethenyl-3-methyl-2H-imidazole.
What is the SMILES notation for acetic acid;1-ethenyl-3-methyl-2H-imidazole?
The canonical SMILES for acetic acid;1-ethenyl-3-methyl-2H-imidazole is C=CN1C=CN(C)C1.CC(=O)O.
What is the InChIKey of acetic acid;1-ethenyl-3-methyl-2H-imidazole?
The InChIKey is UVQPACCJFWWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C2H4O2/c1-3-8-5-4-7(2)6-8;1-2(3)4/h3-5H,1,6H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethenyl-3-methyl-2H-imidazole?
acetic acid;1-ethenyl-3-methyl-2H-imidazole has a molecular weight of 170.21 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethenyl-3-methyl-2H-imidazole is sourced from PubChem (CID 174673019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).