2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile

C11H11NO3 — CID 58122807

IUPAC2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile
SMILESC=COC1C2CC3C1OC(=O)C3C2C#N
InChIInChI=1S/C11H11NO3/c1-2-14-9-5-3-6-8(7(5)4-12)11(13)15-10(6)9/h2,5-10H,1,3H2
InChIKeyFQVHSGXHFUOAPK-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.85
Rot. Bonds2

About 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile

2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile (PubChem CID 58122807) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile.

Molecular Properties

Compound Name2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile
PubChem CID58122807
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile
SMILESC=COC1C2CC3C1OC(=O)C3C2C#N
InChIInChI=1S/C11H11NO3/c1-2-14-9-5-3-6-8(7(5)4-12)11(13)15-10(6)9/h2,5-10H,1,3H2
InChIKeyFQVHSGXHFUOAPK-UHFFFAOYSA-N
XLogP0.85
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile?
The IUPAC name of 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile (CID 58122807) is 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile.
What is the SMILES notation for 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile?
The canonical SMILES for 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile is C=COC1C2CC3C1OC(=O)C3C2C#N.
What is the InChIKey of 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile?
The InChIKey is FQVHSGXHFUOAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-14-9-5-3-6-8(7(5)4-12)11(13)15-10(6)9/h2,5-10H,1,3H2.
What are the key properties of 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile?
2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile has a molecular weight of 205.21 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonitrile is sourced from PubChem (CID 58122807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).