(3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C12H16N2O2 — CID 171937508

IUPAC(3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCn1cncc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C12H16N2O2/c1-14-7-13-6-11(14)12(15)8-4-9-2-3-10(5-8)16-9/h6-10H,2-5H2,1H3
InChIKeyUWWINADLQVLYRC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.56
Rot. Bonds2

About (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171937508) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171937508
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCn1cncc1C(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C12H16N2O2/c1-14-7-13-6-11(14)12(15)8-4-9-2-3-10(5-8)16-9/h6-10H,2-5H2,1H3
InChIKeyUWWINADLQVLYRC-UHFFFAOYSA-N
XLogP1.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171937508) is (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cn1cncc1C(=O)C1CC2CCC(C1)O2.
What is the InChIKey of (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is UWWINADLQVLYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-7-13-6-11(14)12(15)8-4-9-2-3-10(5-8)16-9/h6-10H,2-5H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171937508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).