3-methoxyiminocyclododecane-1-carbonitrile

C14H24N2O — CID 118511445

IUPAC3-methoxyiminocyclododecane-1-carbonitrile
SMILESCON=C1CCCCCCCCCC(C#N)C1
InChIInChI=1S/C14H24N2O/c1-17-16-14-10-8-6-4-2-3-5-7-9-13(11-14)12-15/h13H,2-11H2,1H3
InChIKeyQTMLOKYZZHBBAU-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.04
Rot. Bonds1

About 3-methoxyiminocyclododecane-1-carbonitrile

3-methoxyiminocyclododecane-1-carbonitrile (PubChem CID 118511445) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-methoxyiminocyclododecane-1-carbonitrile.

Molecular Properties

Compound Name3-methoxyiminocyclododecane-1-carbonitrile
PubChem CID118511445
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-methoxyiminocyclododecane-1-carbonitrile
SMILESCON=C1CCCCCCCCCC(C#N)C1
InChIInChI=1S/C14H24N2O/c1-17-16-14-10-8-6-4-2-3-5-7-9-13(11-14)12-15/h13H,2-11H2,1H3
InChIKeyQTMLOKYZZHBBAU-UHFFFAOYSA-N
XLogP4.04
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyiminocyclododecane-1-carbonitrile?
The IUPAC name of 3-methoxyiminocyclododecane-1-carbonitrile (CID 118511445) is 3-methoxyiminocyclododecane-1-carbonitrile.
What is the SMILES notation for 3-methoxyiminocyclododecane-1-carbonitrile?
The canonical SMILES for 3-methoxyiminocyclododecane-1-carbonitrile is CON=C1CCCCCCCCCC(C#N)C1.
What is the InChIKey of 3-methoxyiminocyclododecane-1-carbonitrile?
The InChIKey is QTMLOKYZZHBBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-17-16-14-10-8-6-4-2-3-5-7-9-13(11-14)12-15/h13H,2-11H2,1H3.
What are the key properties of 3-methoxyiminocyclododecane-1-carbonitrile?
3-methoxyiminocyclododecane-1-carbonitrile has a molecular weight of 236.36 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyiminocyclododecane-1-carbonitrile is sourced from PubChem (CID 118511445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).