1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate

C13H14NO2- — CID 164686625

IUPAC1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate
SMILES[O-]/C(=N\c1ccccc1)OC1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,14,15)/p-1
InChIKeyFOCFOFFSLOVHDD-UHFFFAOYSA-M
MW216.26 g/mol
LogP2.16
Rot. Bonds2

About 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate

1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate (PubChem CID 164686625) has the molecular formula C13H14NO2- and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate
PubChem CID164686625
Molecular FormulaC13H14NO2-
Molecular Weight216.26 g/mol
Exact Mass216.10
IUPAC Name1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate
SMILES[O-]/C(=N\c1ccccc1)OC1C=CCCC1
InChIInChI=1S/C13H15NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,14,15)/p-1
InChIKeyFOCFOFFSLOVHDD-UHFFFAOYSA-M
XLogP2.16
TPSA44.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate?
The IUPAC name of 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate (CID 164686625) is 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate.
What is the SMILES notation for 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate?
The canonical SMILES for 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate is [O-]/C(=N\c1ccccc1)OC1C=CCCC1.
What is the InChIKey of 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate?
The InChIKey is FOCFOFFSLOVHDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15NO2/c15-13(14-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,14,15)/p-1.
What are the key properties of 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate?
1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate has a molecular weight of 216.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yloxy-N-phenylmethanimidate is sourced from PubChem (CID 164686625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).