acetic acid;1-ethylimidazole

C7H12N2O2 — CID 71421038

IUPACacetic acid;1-ethylimidazole
SMILESCC(=O)O.CCn1ccnc1
InChIInChI=1S/C5H8N2.C2H4O2/c1-2-7-4-3-6-5-7;1-2(3)4/h3-5H,2H2,1H3;1H3,(H,3,4)
InChIKeyFSQZUOBIINOWOI-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.99
Rot. Bonds1

About acetic acid;1-ethylimidazole

acetic acid;1-ethylimidazole (PubChem CID 71421038) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is acetic acid;1-ethylimidazole.

Molecular Properties

Compound Nameacetic acid;1-ethylimidazole
PubChem CID71421038
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Nameacetic acid;1-ethylimidazole
SMILESCC(=O)O.CCn1ccnc1
InChIInChI=1S/C5H8N2.C2H4O2/c1-2-7-4-3-6-5-7;1-2(3)4/h3-5H,2H2,1H3;1H3,(H,3,4)
InChIKeyFSQZUOBIINOWOI-UHFFFAOYSA-N
XLogP0.99
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethylimidazole?
The IUPAC name of acetic acid;1-ethylimidazole (CID 71421038) is acetic acid;1-ethylimidazole.
What is the SMILES notation for acetic acid;1-ethylimidazole?
The canonical SMILES for acetic acid;1-ethylimidazole is CC(=O)O.CCn1ccnc1.
What is the InChIKey of acetic acid;1-ethylimidazole?
The InChIKey is FSQZUOBIINOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H4O2/c1-2-7-4-3-6-5-7;1-2(3)4/h3-5H,2H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-ethylimidazole?
acetic acid;1-ethylimidazole has a molecular weight of 156.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethylimidazole is sourced from PubChem (CID 71421038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).