1-(1H-imidazol-5-yl)decan-1-one

C13H22N2O — CID 68947449

IUPAC1-(1H-imidazol-5-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cnc[nH]1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-9-13(16)12-10-14-11-15-12/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyHEUVNNFRAFUGCI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.73
Rot. Bonds9

About 1-(1H-imidazol-5-yl)decan-1-one

1-(1H-imidazol-5-yl)decan-1-one (PubChem CID 68947449) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)decan-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)decan-1-one
PubChem CID68947449
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(1H-imidazol-5-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cnc[nH]1
InChIInChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-9-13(16)12-10-14-11-15-12/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyHEUVNNFRAFUGCI-UHFFFAOYSA-N
XLogP3.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1H-imidazol-5-yl)decan-1-one?
The IUPAC name of 1-(1H-imidazol-5-yl)decan-1-one (CID 68947449) is 1-(1H-imidazol-5-yl)decan-1-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)decan-1-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)decan-1-one is CCCCCCCCCC(=O)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)decan-1-one?
The InChIKey is HEUVNNFRAFUGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-4-5-6-7-8-9-13(16)12-10-14-11-15-12/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(1H-imidazol-5-yl)decan-1-one?
1-(1H-imidazol-5-yl)decan-1-one has a molecular weight of 222.33 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)decan-1-one is sourced from PubChem (CID 68947449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).