(E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one

C14H22N2O — CID 132525010

IUPAC(E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one
SMILESCCCCCCC/C=C/C(=O)c1nccn1C
InChIInChI=1S/C14H22N2O/c1-3-4-5-6-7-8-9-10-13(17)14-15-11-12-16(14)2/h9-12H,3-8H2,1-2H3/b10-9+
InChIKeyZDICEENIHBRXLP-MDZDMXLPSA-N
MW234.34 g/mol
LogP3.52
Rot. Bonds8

About (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one

(E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one (PubChem CID 132525010) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one
PubChem CID132525010
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one
SMILESCCCCCCC/C=C/C(=O)c1nccn1C
InChIInChI=1S/C14H22N2O/c1-3-4-5-6-7-8-9-10-13(17)14-15-11-12-16(14)2/h9-12H,3-8H2,1-2H3/b10-9+
InChIKeyZDICEENIHBRXLP-MDZDMXLPSA-N
XLogP3.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(9z)-1-(1-Methyl-1h-imidazol-2-yl)octadec-9-en-1-one
CID 14062681
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CID 44589264
(E)-1-(1-Isopropyl-1H-imidazol-2-yl)but-2-en-1-one
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(e)-1-(1-Methyl-1h-imidazol-2-yl)but-2-en-1-one
CID 11845347
(E)-4,4-Dimethyl-1-(1-methyl-1H-imidazol-2-yl)-2-penten-1-one
CID 46856541
(E)-4,4-Dimethyl-1-(1-methyl-1H-imidazol-2-yl)-2-deutero-2-penten-1-one
CID 46856531
(E)-4-Methyl-1-(1-methyl-1H-imidazole-2-yl)-pent-2-en-1-one
CID 46856538
(E)-1-(1-Methyl-1H-imidazole-2-yl)oct-2-en-1-on
CID 46856540
(E)-4,4,4-trifluoro-1-(1-methylimidazol-2-yl)but-2-en-1-one
CID 122219467
3-(1-Methylimidazol-2-yl)cyclohex-2-en-1-one
CID 65171787
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CID 19878899
1-Imidazol-1-yloct-3-en-2-one
CID 53833405

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one?
The IUPAC name of (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one (CID 132525010) is (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one.
What is the SMILES notation for (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one?
The canonical SMILES for (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one is CCCCCCC/C=C/C(=O)c1nccn1C.
What is the InChIKey of (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one?
The InChIKey is ZDICEENIHBRXLP-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-5-6-7-8-9-10-13(17)14-15-11-12-16(14)2/h9-12H,3-8H2,1-2H3/b10-9+.
What are the key properties of (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one?
(E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylimidazol-2-yl)dec-2-en-1-one is sourced from PubChem (CID 132525010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).