ethyl 1H-benzo[f]indole-2-carboxylate

C15H13NO2 — CID 848533

IUPACethyl 1H-benzo[f]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C15H13NO2/c1-2-18-15(17)14-9-12-7-10-5-3-4-6-11(10)8-13(12)16-14/h3-9,16H,2H2,1H3
InChIKeyPORHSMPSOZWUIV-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.50
Rot. Bonds2

About ethyl 1H-benzo[f]indole-2-carboxylate

ethyl 1H-benzo[f]indole-2-carboxylate (PubChem CID 848533) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 1H-benzo[f]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1H-benzo[f]indole-2-carboxylate
PubChem CID848533
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Nameethyl 1H-benzo[f]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc3ccccc3cc2[nH]1
InChIInChI=1S/C15H13NO2/c1-2-18-15(17)14-9-12-7-10-5-3-4-6-11(10)8-13(12)16-14/h3-9,16H,2H2,1H3
InChIKeyPORHSMPSOZWUIV-UHFFFAOYSA-N
XLogP3.50
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 1H-benzo[f]indole-2-carboxylate?
The IUPAC name of ethyl 1H-benzo[f]indole-2-carboxylate (CID 848533) is ethyl 1H-benzo[f]indole-2-carboxylate.
What is the SMILES notation for ethyl 1H-benzo[f]indole-2-carboxylate?
The canonical SMILES for ethyl 1H-benzo[f]indole-2-carboxylate is CCOC(=O)c1cc2cc3ccccc3cc2[nH]1.
What is the InChIKey of ethyl 1H-benzo[f]indole-2-carboxylate?
The InChIKey is PORHSMPSOZWUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-18-15(17)14-9-12-7-10-5-3-4-6-11(10)8-13(12)16-14/h3-9,16H,2H2,1H3.
What are the key properties of ethyl 1H-benzo[f]indole-2-carboxylate?
ethyl 1H-benzo[f]indole-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1H-benzo[f]indole-2-carboxylate is sourced from PubChem (CID 848533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).