3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione

C13H13NO2 — CID 70456027

IUPAC3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione
SMILESCCC1C(=O)Nc2cc3c(cc21)CCC3=O
InChIInChI=1S/C13H13NO2/c1-2-8-10-5-7-3-4-12(15)9(7)6-11(10)14-13(8)16/h5-6,8H,2-4H2,1H3,(H,14,16)
InChIKeyLAZNVMYFZJEBDH-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.26
Rot. Bonds1

About 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione

3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione (PubChem CID 70456027) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione.

Molecular Properties

Compound Name3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione
PubChem CID70456027
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione
SMILESCCC1C(=O)Nc2cc3c(cc21)CCC3=O
InChIInChI=1S/C13H13NO2/c1-2-8-10-5-7-3-4-12(15)9(7)6-11(10)14-13(8)16/h5-6,8H,2-4H2,1H3,(H,14,16)
InChIKeyLAZNVMYFZJEBDH-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione?
The IUPAC name of 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione (CID 70456027) is 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione.
What is the SMILES notation for 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione?
The canonical SMILES for 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione is CCC1C(=O)Nc2cc3c(cc21)CCC3=O.
What is the InChIKey of 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione?
The InChIKey is LAZNVMYFZJEBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-8-10-5-7-3-4-12(15)9(7)6-11(10)14-13(8)16/h5-6,8H,2-4H2,1H3,(H,14,16).
What are the key properties of 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione?
3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione has a molecular weight of 215.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3,5,6-tetrahydrocyclopenta[f]indole-2,7-dione is sourced from PubChem (CID 70456027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).