(Z)-1-imidazol-1-yloct-3-en-1-one

C11H16N2O — CID 59547618

IUPAC(Z)-1-imidazol-1-yloct-3-en-1-one
SMILESCCCC/C=C\CC(=O)n1ccnc1
InChIInChI=1S/C11H16N2O/c1-2-3-4-5-6-7-11(14)13-9-8-12-10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5-
InChIKeyVZDGBHRGILITSM-WAYWQWQTSA-N
MW192.26 g/mol
LogP2.66
Rot. Bonds5

About (Z)-1-imidazol-1-yloct-3-en-1-one

(Z)-1-imidazol-1-yloct-3-en-1-one (PubChem CID 59547618) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-1-imidazol-1-yloct-3-en-1-one.

Molecular Properties

Compound Name(Z)-1-imidazol-1-yloct-3-en-1-one
PubChem CID59547618
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(Z)-1-imidazol-1-yloct-3-en-1-one
SMILESCCCC/C=C\CC(=O)n1ccnc1
InChIInChI=1S/C11H16N2O/c1-2-3-4-5-6-7-11(14)13-9-8-12-10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5-
InChIKeyVZDGBHRGILITSM-WAYWQWQTSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-imidazol-1-yloct-3-en-1-one?
The IUPAC name of (Z)-1-imidazol-1-yloct-3-en-1-one (CID 59547618) is (Z)-1-imidazol-1-yloct-3-en-1-one.
What is the SMILES notation for (Z)-1-imidazol-1-yloct-3-en-1-one?
The canonical SMILES for (Z)-1-imidazol-1-yloct-3-en-1-one is CCCC/C=C\CC(=O)n1ccnc1.
What is the InChIKey of (Z)-1-imidazol-1-yloct-3-en-1-one?
The InChIKey is VZDGBHRGILITSM-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-4-5-6-7-11(14)13-9-8-12-10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5-.
What are the key properties of (Z)-1-imidazol-1-yloct-3-en-1-one?
(Z)-1-imidazol-1-yloct-3-en-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-imidazol-1-yloct-3-en-1-one is sourced from PubChem (CID 59547618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).