ethenyl carbazole-9-carboxylate

C15H11NO2 — CID 21059227

IUPACethenyl carbazole-9-carboxylate
SMILESC=COC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C15H11NO2/c1-2-18-15(17)16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16/h2-10H,1H2
InChIKeyUXIUBWNRMWAZHN-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.92
Rot. Bonds1

About ethenyl carbazole-9-carboxylate

ethenyl carbazole-9-carboxylate (PubChem CID 21059227) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is ethenyl carbazole-9-carboxylate.

Molecular Properties

Compound Nameethenyl carbazole-9-carboxylate
PubChem CID21059227
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Nameethenyl carbazole-9-carboxylate
SMILESC=COC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C15H11NO2/c1-2-18-15(17)16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16/h2-10H,1H2
InChIKeyUXIUBWNRMWAZHN-UHFFFAOYSA-N
XLogP3.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl carbazole-9-carboxylate?
The IUPAC name of ethenyl carbazole-9-carboxylate (CID 21059227) is ethenyl carbazole-9-carboxylate.
What is the SMILES notation for ethenyl carbazole-9-carboxylate?
The canonical SMILES for ethenyl carbazole-9-carboxylate is C=COC(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of ethenyl carbazole-9-carboxylate?
The InChIKey is UXIUBWNRMWAZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-2-18-15(17)16-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16/h2-10H,1H2.
What are the key properties of ethenyl carbazole-9-carboxylate?
ethenyl carbazole-9-carboxylate has a molecular weight of 237.26 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl carbazole-9-carboxylate is sourced from PubChem (CID 21059227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).