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

C10H14N2O2 — CID 91264859

IUPAC1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone
SMILESCC(=O)C1COCCC1c1ncc[nH]1
InChIInChI=1S/C10H14N2O2/c1-7(13)9-6-14-5-2-8(9)10-11-3-4-12-10/h3-4,8-9H,2,5-6H2,1H3,(H,11,12)
InChIKeyAMJLPHOKIZTMFH-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.12
Rot. Bonds2

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

1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone (PubChem CID 91264859) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone
PubChem CID91264859
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone
SMILESCC(=O)C1COCCC1c1ncc[nH]1
InChIInChI=1S/C10H14N2O2/c1-7(13)9-6-14-5-2-8(9)10-11-3-4-12-10/h3-4,8-9H,2,5-6H2,1H3,(H,11,12)
InChIKeyAMJLPHOKIZTMFH-UHFFFAOYSA-N
XLogP1.12
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.12
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)oxan-3-yl]ethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone (CID 91264859) is 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone is CC(=O)C1COCCC1c1ncc[nH]1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone?
The InChIKey is AMJLPHOKIZTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(13)9-6-14-5-2-8(9)10-11-3-4-12-10/h3-4,8-9H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone?
1-[4-(1H-imidazol-2-yl)oxan-3-yl]ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.12, 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)oxan-3-yl]ethanone is sourced from PubChem (CID 91264859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).