(1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate

C10H15N3O2 — CID 15444840

IUPAC(1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate
SMILESC/C([O-])=N\c1c[n+](C2CCCCC2)no1
InChIInChI=1S/C10H15N3O2/c1-8(14)11-10-7-13(12-15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyIYGGSYLXFDKOFN-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.88
Rot. Bonds2

About (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate

(1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate (PubChem CID 15444840) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate.

Molecular Properties

Compound Name(1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate
PubChem CID15444840
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name(1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate
SMILESC/C([O-])=N\c1c[n+](C2CCCCC2)no1
InChIInChI=1S/C10H15N3O2/c1-8(14)11-10-7-13(12-15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3
InChIKeyIYGGSYLXFDKOFN-UHFFFAOYSA-N
XLogP0.88
TPSA65.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate?
The IUPAC name of (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate (CID 15444840) is (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate.
What is the SMILES notation for (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate?
The canonical SMILES for (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate is C/C([O-])=N\c1c[n+](C2CCCCC2)no1.
What is the InChIKey of (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate?
The InChIKey is IYGGSYLXFDKOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-8(14)11-10-7-13(12-15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3.
What are the key properties of (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate?
(1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate has a molecular weight of 209.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(3-cyclohexyloxadiazol-3-ium-5-yl)ethanimidate is sourced from PubChem (CID 15444840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).