ethyl N-(2-cyanocyclohexen-1-yl)methanimidate

C10H14N2O — CID 11816197

IUPACethyl N-(2-cyanocyclohexen-1-yl)methanimidate
SMILESCCO/C=N/C1=C(C#N)CCCC1
InChIInChI=1S/C10H14N2O/c1-2-13-8-12-10-6-4-3-5-9(10)7-11/h8H,2-6H2,1H3/b12-8+
InChIKeyWPORKZAHUXUCSW-XYOKQWHBSA-N
MW178.23 g/mol
LogP2.40
Rot. Bonds3

About ethyl N-(2-cyanocyclohexen-1-yl)methanimidate

ethyl N-(2-cyanocyclohexen-1-yl)methanimidate (PubChem CID 11816197) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is ethyl N-(2-cyanocyclohexen-1-yl)methanimidate.

Molecular Properties

Compound Nameethyl N-(2-cyanocyclohexen-1-yl)methanimidate
PubChem CID11816197
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nameethyl N-(2-cyanocyclohexen-1-yl)methanimidate
SMILESCCO/C=N/C1=C(C#N)CCCC1
InChIInChI=1S/C10H14N2O/c1-2-13-8-12-10-6-4-3-5-9(10)7-11/h8H,2-6H2,1H3/b12-8+
InChIKeyWPORKZAHUXUCSW-XYOKQWHBSA-N
XLogP2.40
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.40
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-cyanocyclohexen-1-yl)methanimidate?
The IUPAC name of ethyl N-(2-cyanocyclohexen-1-yl)methanimidate (CID 11816197) is ethyl N-(2-cyanocyclohexen-1-yl)methanimidate.
What is the SMILES notation for ethyl N-(2-cyanocyclohexen-1-yl)methanimidate?
The canonical SMILES for ethyl N-(2-cyanocyclohexen-1-yl)methanimidate is CCO/C=N/C1=C(C#N)CCCC1.
What is the InChIKey of ethyl N-(2-cyanocyclohexen-1-yl)methanimidate?
The InChIKey is WPORKZAHUXUCSW-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-13-8-12-10-6-4-3-5-9(10)7-11/h8H,2-6H2,1H3/b12-8+.
What are the key properties of ethyl N-(2-cyanocyclohexen-1-yl)methanimidate?
ethyl N-(2-cyanocyclohexen-1-yl)methanimidate has a molecular weight of 178.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-cyanocyclohexen-1-yl)methanimidate is sourced from PubChem (CID 11816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).