9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile

C11H7NO — CID 18467790

IUPAC9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile
SMILESN#CC1Cc2cc3ccoc3cc21
InChIInChI=1S/C11H7NO/c12-6-9-4-8-3-7-1-2-13-11(7)5-10(8)9/h1-3,5,9H,4H2
InChIKeyCRNKLCCILGAUHO-UHFFFAOYSA-N
MW169.18 g/mol
LogP2.60
Rot. Bonds

About 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile

9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile (PubChem CID 18467790) has the molecular formula C11H7NO and a molecular weight of 169.18 g/mol. Its IUPAC name is 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile.

Molecular Properties

Compound Name9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile
PubChem CID18467790
Molecular FormulaC11H7NO
Molecular Weight169.18 g/mol
Exact Mass169.05
IUPAC Name9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile
SMILESN#CC1Cc2cc3ccoc3cc21
InChIInChI=1S/C11H7NO/c12-6-9-4-8-3-7-1-2-13-11(7)5-10(8)9/h1-3,5,9H,4H2
InChIKeyCRNKLCCILGAUHO-UHFFFAOYSA-N
XLogP2.60
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile?
The IUPAC name of 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile (CID 18467790) is 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile.
What is the SMILES notation for 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile?
The canonical SMILES for 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile is N#CC1Cc2cc3ccoc3cc21.
What is the InChIKey of 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile?
The InChIKey is CRNKLCCILGAUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO/c12-6-9-4-8-3-7-1-2-13-11(7)5-10(8)9/h1-3,5,9H,4H2.
What are the key properties of 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile?
9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile has a molecular weight of 169.18 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxatricyclo[6.3.0.03,6]undeca-1,3(6),7,10-tetraene-5-carbonitrile is sourced from PubChem (CID 18467790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).