(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone

C11H16N2O2 — CID 118006250

IUPAC(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone
SMILESCc1ncc(C(=O)C2CCOCC2)n1C
InChIInChI=1S/C11H16N2O2/c1-8-12-7-10(13(8)2)11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyDJMRQOMFXJMBMX-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.34
Rot. Bonds2

About (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone

(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone (PubChem CID 118006250) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone
PubChem CID118006250
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone
SMILESCc1ncc(C(=O)C2CCOCC2)n1C
InChIInChI=1S/C11H16N2O2/c1-8-12-7-10(13(8)2)11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3
InChIKeyDJMRQOMFXJMBMX-UHFFFAOYSA-N
XLogP1.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone?
The IUPAC name of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone (CID 118006250) is (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone is Cc1ncc(C(=O)C2CCOCC2)n1C.
What is the InChIKey of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone?
The InChIKey is DJMRQOMFXJMBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-12-7-10(13(8)2)11(14)9-3-5-15-6-4-9/h7,9H,3-6H2,1-2H3.
What are the key properties of (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone?
(2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone has a molecular weight of 208.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazol-4-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 118006250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).