ethyl 7-chlorocyclopenta[b]indole-2-carboxylate

C14H10ClNO2 — CID 54440432

IUPACethyl 7-chlorocyclopenta[b]indole-2-carboxylate
SMILESCCOC(=O)C1=CC2=c3cc(Cl)ccc3=NC2=C1
InChIInChI=1S/C14H10ClNO2/c1-2-18-14(17)8-5-10-11-7-9(15)3-4-12(11)16-13(10)6-8/h3-7H,2H2,1H3
InChIKeyWNSCUVJGNGPULJ-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.51
Rot. Bonds2

About ethyl 7-chlorocyclopenta[b]indole-2-carboxylate

ethyl 7-chlorocyclopenta[b]indole-2-carboxylate (PubChem CID 54440432) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is ethyl 7-chlorocyclopenta[b]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-chlorocyclopenta[b]indole-2-carboxylate
PubChem CID54440432
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Nameethyl 7-chlorocyclopenta[b]indole-2-carboxylate
SMILESCCOC(=O)C1=CC2=c3cc(Cl)ccc3=NC2=C1
InChIInChI=1S/C14H10ClNO2/c1-2-18-14(17)8-5-10-11-7-9(15)3-4-12(11)16-13(10)6-8/h3-7H,2H2,1H3
InChIKeyWNSCUVJGNGPULJ-UHFFFAOYSA-N
XLogP1.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-chlorocyclopenta[b]indole-2-carboxylate?
The IUPAC name of ethyl 7-chlorocyclopenta[b]indole-2-carboxylate (CID 54440432) is ethyl 7-chlorocyclopenta[b]indole-2-carboxylate.
What is the SMILES notation for ethyl 7-chlorocyclopenta[b]indole-2-carboxylate?
The canonical SMILES for ethyl 7-chlorocyclopenta[b]indole-2-carboxylate is CCOC(=O)C1=CC2=c3cc(Cl)ccc3=NC2=C1.
What is the InChIKey of ethyl 7-chlorocyclopenta[b]indole-2-carboxylate?
The InChIKey is WNSCUVJGNGPULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-2-18-14(17)8-5-10-11-7-9(15)3-4-12(11)16-13(10)6-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 7-chlorocyclopenta[b]indole-2-carboxylate?
ethyl 7-chlorocyclopenta[b]indole-2-carboxylate has a molecular weight of 259.69 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-chlorocyclopenta[b]indole-2-carboxylate is sourced from PubChem (CID 54440432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).