cyclohexyl(2-ethenoxyethyl)cyanamide

C11H18N2O — CID 121220580

IUPACcyclohexyl(2-ethenoxyethyl)cyanamide
SMILESC=COCCN(C#N)C1CCCCC1
InChIInChI=1S/C11H18N2O/c1-2-14-9-8-13(10-12)11-6-4-3-5-7-11/h2,11H,1,3-9H2
InChIKeyVVJJIBAHTBBMIK-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.26
Rot. Bonds5

About cyclohexyl(2-ethenoxyethyl)cyanamide

cyclohexyl(2-ethenoxyethyl)cyanamide (PubChem CID 121220580) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is cyclohexyl(2-ethenoxyethyl)cyanamide.

Molecular Properties

Compound Namecyclohexyl(2-ethenoxyethyl)cyanamide
PubChem CID121220580
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Namecyclohexyl(2-ethenoxyethyl)cyanamide
SMILESC=COCCN(C#N)C1CCCCC1
InChIInChI=1S/C11H18N2O/c1-2-14-9-8-13(10-12)11-6-4-3-5-7-11/h2,11H,1,3-9H2
InChIKeyVVJJIBAHTBBMIK-UHFFFAOYSA-N
XLogP2.26
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(2-ethenoxyethyl)cyanamide?
The IUPAC name of cyclohexyl(2-ethenoxyethyl)cyanamide (CID 121220580) is cyclohexyl(2-ethenoxyethyl)cyanamide.
What is the SMILES notation for cyclohexyl(2-ethenoxyethyl)cyanamide?
The canonical SMILES for cyclohexyl(2-ethenoxyethyl)cyanamide is C=COCCN(C#N)C1CCCCC1.
What is the InChIKey of cyclohexyl(2-ethenoxyethyl)cyanamide?
The InChIKey is VVJJIBAHTBBMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-14-9-8-13(10-12)11-6-4-3-5-7-11/h2,11H,1,3-9H2.
What are the key properties of cyclohexyl(2-ethenoxyethyl)cyanamide?
cyclohexyl(2-ethenoxyethyl)cyanamide has a molecular weight of 194.28 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(2-ethenoxyethyl)cyanamide is sourced from PubChem (CID 121220580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).