ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate

C15H13NO2 — CID 4713448

IUPACethyl 9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)Cc1ccccc1-2
InChIInChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3
InChIKeyWQIWYEISPHMPOA-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.83
Rot. Bonds2

About ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate

ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate (PubChem CID 4713448) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 9H-indeno[2,1-c]pyridine-3-carboxylate
PubChem CID4713448
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Nameethyl 9H-indeno[2,1-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(cn1)Cc1ccccc1-2
InChIInChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3
InChIKeyWQIWYEISPHMPOA-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate (CID 4713448) is ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate is CCOC(=O)c1cc2c(cn1)Cc1ccccc1-2.
What is the InChIKey of ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate?
The InChIKey is WQIWYEISPHMPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3.
What are the key properties of ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate?
ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate is sourced from PubChem (CID 4713448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).