1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one

C10H16N2O2 — CID 173345785

IUPAC1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one
SMILESCOCCC(C)CC(=O)c1cnc[nH]1
InChIInChI=1S/C10H16N2O2/c1-8(3-4-14-2)5-10(13)9-6-11-7-12-9/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyHIQJLZZCXOVFFF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.66
Rot. Bonds6

About 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one

1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one (PubChem CID 173345785) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one
PubChem CID173345785
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one
SMILESCOCCC(C)CC(=O)c1cnc[nH]1
InChIInChI=1S/C10H16N2O2/c1-8(3-4-14-2)5-10(13)9-6-11-7-12-9/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyHIQJLZZCXOVFFF-UHFFFAOYSA-N
XLogP1.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one (CID 173345785) is 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one is COCCC(C)CC(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one?
The InChIKey is HIQJLZZCXOVFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(3-4-14-2)5-10(13)9-6-11-7-12-9/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one?
1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-5-methoxy-3-methylpentan-1-one is sourced from PubChem (CID 173345785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).