1-imidazol-1-yl-6-methoxyhexan-1-one

C10H16N2O2 — CID 58939130

IUPAC1-imidazol-1-yl-6-methoxyhexan-1-one
SMILESCOCCCCCC(=O)n1ccnc1
InChIInChI=1S/C10H16N2O2/c1-14-8-4-2-3-5-10(13)12-7-6-11-9-12/h6-7,9H,2-5,8H2,1H3
InChIKeyRHYJYRCLJJTSND-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.73
Rot. Bonds6

About 1-imidazol-1-yl-6-methoxyhexan-1-one

1-imidazol-1-yl-6-methoxyhexan-1-one (PubChem CID 58939130) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-imidazol-1-yl-6-methoxyhexan-1-one.

Molecular Properties

Compound Name1-imidazol-1-yl-6-methoxyhexan-1-one
PubChem CID58939130
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-imidazol-1-yl-6-methoxyhexan-1-one
SMILESCOCCCCCC(=O)n1ccnc1
InChIInChI=1S/C10H16N2O2/c1-14-8-4-2-3-5-10(13)12-7-6-11-9-12/h6-7,9H,2-5,8H2,1H3
InChIKeyRHYJYRCLJJTSND-UHFFFAOYSA-N
XLogP1.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-6-methoxyhexan-1-one?
The IUPAC name of 1-imidazol-1-yl-6-methoxyhexan-1-one (CID 58939130) is 1-imidazol-1-yl-6-methoxyhexan-1-one.
What is the SMILES notation for 1-imidazol-1-yl-6-methoxyhexan-1-one?
The canonical SMILES for 1-imidazol-1-yl-6-methoxyhexan-1-one is COCCCCCC(=O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-6-methoxyhexan-1-one?
The InChIKey is RHYJYRCLJJTSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-14-8-4-2-3-5-10(13)12-7-6-11-9-12/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-imidazol-1-yl-6-methoxyhexan-1-one?
1-imidazol-1-yl-6-methoxyhexan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-6-methoxyhexan-1-one is sourced from PubChem (CID 58939130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).