1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone

C11H16N2O2 — CID 91133051

IUPAC1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone
SMILESCC(=O)C1COC(C)CC1c1ncc[nH]1
InChIInChI=1S/C11H16N2O2/c1-7-5-9(11-12-3-4-13-11)10(6-15-7)8(2)14/h3-4,7,9-10H,5-6H2,1-2H3,(H,12,13)
InChIKeyZKGIMQPGGPZGJP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.51
Rot. Bonds2

About 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone

1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone (PubChem CID 91133051) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone
PubChem CID91133051
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone
SMILESCC(=O)C1COC(C)CC1c1ncc[nH]1
InChIInChI=1S/C11H16N2O2/c1-7-5-9(11-12-3-4-13-11)10(6-15-7)8(2)14/h3-4,7,9-10H,5-6H2,1-2H3,(H,12,13)
InChIKeyZKGIMQPGGPZGJP-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone (CID 91133051) is 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone is CC(=O)C1COC(C)CC1c1ncc[nH]1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone?
The InChIKey is ZKGIMQPGGPZGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-5-9(11-12-3-4-13-11)10(6-15-7)8(2)14/h3-4,7,9-10H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone?
1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)-6-methyloxan-3-yl]ethanone is sourced from PubChem (CID 91133051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).