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

C9H12N2O2 — CID 58939120

IUPAC1-imidazol-1-yl-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)n1ccnc1
InChIInChI=1S/C9H12N2O2/c12-9(11-4-3-10-7-11)6-8-2-1-5-13-8/h3-4,7-8H,1-2,5-6H2
InChIKeyZOWJQWBDEBBSIE-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.09
Rot. Bonds2

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

1-imidazol-1-yl-2-(oxolan-2-yl)ethanone (PubChem CID 58939120) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-imidazol-1-yl-2-(oxolan-2-yl)ethanone
PubChem CID58939120
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-imidazol-1-yl-2-(oxolan-2-yl)ethanone
SMILESO=C(CC1CCCO1)n1ccnc1
InChIInChI=1S/C9H12N2O2/c12-9(11-4-3-10-7-11)6-8-2-1-5-13-8/h3-4,7-8H,1-2,5-6H2
InChIKeyZOWJQWBDEBBSIE-UHFFFAOYSA-N
XLogP1.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone (CID 58939120) is 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone is O=C(CC1CCCO1)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone?
The InChIKey is ZOWJQWBDEBBSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-9(11-4-3-10-7-11)6-8-2-1-5-13-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone?
1-imidazol-1-yl-2-(oxolan-2-yl)ethanone has a molecular weight of 180.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 58939120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).