acetic acid;1-methylimidazole

C6H10N2O2 — CID 18354143

IUPACacetic acid;1-methylimidazole
SMILESCC(=O)O.Cn1ccnc1
InChIInChI=1S/C4H6N2.C2H4O2/c1-6-3-2-5-4-6;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeyPFZPMLROUDTELO-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.51
Rot. Bonds

About acetic acid;1-methylimidazole

acetic acid;1-methylimidazole (PubChem CID 18354143) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is acetic acid;1-methylimidazole.

Molecular Properties

Compound Nameacetic acid;1-methylimidazole
PubChem CID18354143
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Nameacetic acid;1-methylimidazole
SMILESCC(=O)O.Cn1ccnc1
InChIInChI=1S/C4H6N2.C2H4O2/c1-6-3-2-5-4-6;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeyPFZPMLROUDTELO-UHFFFAOYSA-N
XLogP0.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylimidazole
CID 1390
Imidazole-1-acetic acid
CID 656129
3-(1H-imidazol-1-yl)propanoic acid
CID 2794718
1-methyl-1H-imidazole-2-carboxylic acid
CID 557678
1,3-Dimethylimidazolium Iodide
CID 20334
Ethyl 1H-imidazole-1-carboxylate
CID 87963
1H-Imidazole-1-butanoic acid
CID 3055390
1-Ethyl-3-methylimidazolium acetate
CID 11658353
1-Ethyl-1H-imidazole
CID 81540
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
3-(1H-imidazol-1-yl)butanoic acid
CID 3101198

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-methylimidazole?
The IUPAC name of acetic acid;1-methylimidazole (CID 18354143) is acetic acid;1-methylimidazole.
What is the SMILES notation for acetic acid;1-methylimidazole?
The canonical SMILES for acetic acid;1-methylimidazole is CC(=O)O.Cn1ccnc1.
What is the InChIKey of acetic acid;1-methylimidazole?
The InChIKey is PFZPMLROUDTELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C2H4O2/c1-6-3-2-5-4-6;1-2(3)4/h2-4H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-methylimidazole?
acetic acid;1-methylimidazole has a molecular weight of 142.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-methylimidazole is sourced from PubChem (CID 18354143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).