7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one

C13H13NO2 — CID 107958537

IUPAC7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one
SMILESCCOc1ccc2[nH]c3c(c2c1)C(=O)CC3
InChIInChI=1S/C13H13NO2/c1-2-16-8-3-4-10-9(7-8)13-11(14-10)5-6-12(13)15/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGHKDEGPCJWZCEX-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.70
Rot. Bonds2

About 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one

7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one (PubChem CID 107958537) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one.

Molecular Properties

Compound Name7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one
PubChem CID107958537
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one
SMILESCCOc1ccc2[nH]c3c(c2c1)C(=O)CC3
InChIInChI=1S/C13H13NO2/c1-2-16-8-3-4-10-9(7-8)13-11(14-10)5-6-12(13)15/h3-4,7,14H,2,5-6H2,1H3
InChIKeyGHKDEGPCJWZCEX-UHFFFAOYSA-N
XLogP2.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one?
The IUPAC name of 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one (CID 107958537) is 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one.
What is the SMILES notation for 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one?
The canonical SMILES for 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one is CCOc1ccc2[nH]c3c(c2c1)C(=O)CC3.
What is the InChIKey of 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one?
The InChIKey is GHKDEGPCJWZCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-16-8-3-4-10-9(7-8)13-11(14-10)5-6-12(13)15/h3-4,7,14H,2,5-6H2,1H3.
What are the key properties of 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one?
7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one has a molecular weight of 215.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3,4-dihydro-2H-cyclopenta[b]indol-1-one is sourced from PubChem (CID 107958537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).