2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone

C9H12N2O2 — CID 61271400

IUPAC2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)C1CCOC1
InChIInChI=1S/C9H12N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h2-3,7H,1,4-6H2,(H,10,11)
InChIKeySDJNJHJCUKAZDJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.56
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone

2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone (PubChem CID 61271400) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone
PubChem CID61271400
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone
SMILESO=C(Cc1ncc[nH]1)C1CCOC1
InChIInChI=1S/C9H12N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h2-3,7H,1,4-6H2,(H,10,11)
InChIKeySDJNJHJCUKAZDJ-UHFFFAOYSA-N
XLogP0.56
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone (CID 61271400) is 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone is O=C(Cc1ncc[nH]1)C1CCOC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone?
The InChIKey is SDJNJHJCUKAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h2-3,7H,1,4-6H2,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone?
2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone is sourced from PubChem (CID 61271400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).