ethyl acetate;5-propyl-1H-imidazole

C10H18N2O2 — CID 54226320

IUPACethyl acetate;5-propyl-1H-imidazole
SMILESCCCc1cnc[nH]1.CCOC(C)=O
InChIInChI=1S/C6H10N2.C4H8O2/c1-2-3-6-4-7-5-8-6;1-3-6-4(2)5/h4-5H,2-3H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyQGCJZQDHYRCCSJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.93
Rot. Bonds3

About ethyl acetate;5-propyl-1H-imidazole

ethyl acetate;5-propyl-1H-imidazole (PubChem CID 54226320) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl acetate;5-propyl-1H-imidazole.

Molecular Properties

Compound Nameethyl acetate;5-propyl-1H-imidazole
PubChem CID54226320
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl acetate;5-propyl-1H-imidazole
SMILESCCCc1cnc[nH]1.CCOC(C)=O
InChIInChI=1S/C6H10N2.C4H8O2/c1-2-3-6-4-7-5-8-6;1-3-6-4(2)5/h4-5H,2-3H2,1H3,(H,7,8);3H2,1-2H3
InChIKeyQGCJZQDHYRCCSJ-UHFFFAOYSA-N
XLogP1.93
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl acetate;5-propyl-1H-imidazole?
The IUPAC name of ethyl acetate;5-propyl-1H-imidazole (CID 54226320) is ethyl acetate;5-propyl-1H-imidazole.
What is the SMILES notation for ethyl acetate;5-propyl-1H-imidazole?
The canonical SMILES for ethyl acetate;5-propyl-1H-imidazole is CCCc1cnc[nH]1.CCOC(C)=O.
What is the InChIKey of ethyl acetate;5-propyl-1H-imidazole?
The InChIKey is QGCJZQDHYRCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H8O2/c1-2-3-6-4-7-5-8-6;1-3-6-4(2)5/h4-5H,2-3H2,1H3,(H,7,8);3H2,1-2H3.
What are the key properties of ethyl acetate;5-propyl-1H-imidazole?
ethyl acetate;5-propyl-1H-imidazole has a molecular weight of 198.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;5-propyl-1H-imidazole is sourced from PubChem (CID 54226320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).