3-methoxyiminocyclononane-1-carbonitrile

C11H18N2O — CID 140887446

IUPAC3-methoxyiminocyclononane-1-carbonitrile
SMILESCON=C1CCCCCCC(C#N)C1
InChIInChI=1S/C11H18N2O/c1-14-13-11-7-5-3-2-4-6-10(8-11)9-12/h10H,2-8H2,1H3
InChIKeyRBDFQMJZVAILJW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.87
Rot. Bonds1

About 3-methoxyiminocyclononane-1-carbonitrile

3-methoxyiminocyclononane-1-carbonitrile (PubChem CID 140887446) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methoxyiminocyclononane-1-carbonitrile.

Molecular Properties

Compound Name3-methoxyiminocyclononane-1-carbonitrile
PubChem CID140887446
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methoxyiminocyclononane-1-carbonitrile
SMILESCON=C1CCCCCCC(C#N)C1
InChIInChI=1S/C11H18N2O/c1-14-13-11-7-5-3-2-4-6-10(8-11)9-12/h10H,2-8H2,1H3
InChIKeyRBDFQMJZVAILJW-UHFFFAOYSA-N
XLogP2.87
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.87
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-methoxyiminocyclononane-1-carbonitrile?
The IUPAC name of 3-methoxyiminocyclononane-1-carbonitrile (CID 140887446) is 3-methoxyiminocyclononane-1-carbonitrile.
What is the SMILES notation for 3-methoxyiminocyclononane-1-carbonitrile?
The canonical SMILES for 3-methoxyiminocyclononane-1-carbonitrile is CON=C1CCCCCCC(C#N)C1.
What is the InChIKey of 3-methoxyiminocyclononane-1-carbonitrile?
The InChIKey is RBDFQMJZVAILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-13-11-7-5-3-2-4-6-10(8-11)9-12/h10H,2-8H2,1H3.
What are the key properties of 3-methoxyiminocyclononane-1-carbonitrile?
3-methoxyiminocyclononane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyiminocyclononane-1-carbonitrile is sourced from PubChem (CID 140887446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).