methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate

C14H11NO2 — CID 23243878

IUPACmethyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate
SMILESCOC(=O)C1=C(C#N)C2CC1c1ccccc12
InChIInChI=1S/C14H11NO2/c1-17-14(16)13-11-6-10(12(13)7-15)8-4-2-3-5-9(8)11/h2-5,10-11H,6H2,1H3
InChIKeyKWMVRXHWKHEFNS-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.26
Rot. Bonds1

About methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate

methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate (PubChem CID 23243878) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate.

Molecular Properties

Compound Namemethyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate
PubChem CID23243878
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Namemethyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate
SMILESCOC(=O)C1=C(C#N)C2CC1c1ccccc12
InChIInChI=1S/C14H11NO2/c1-17-14(16)13-11-6-10(12(13)7-15)8-4-2-3-5-9(8)11/h2-5,10-11H,6H2,1H3
InChIKeyKWMVRXHWKHEFNS-UHFFFAOYSA-N
XLogP2.26
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate?
The IUPAC name of methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate (CID 23243878) is methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate.
What is the SMILES notation for methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate?
The canonical SMILES for methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate is COC(=O)C1=C(C#N)C2CC1c1ccccc12.
What is the InChIKey of methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate?
The InChIKey is KWMVRXHWKHEFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-17-14(16)13-11-6-10(12(13)7-15)8-4-2-3-5-9(8)11/h2-5,10-11H,6H2,1H3.
What are the key properties of methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate?
methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-cyanotricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9-carboxylate is sourced from PubChem (CID 23243878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).