1-(1-ethyl-5-hydroxyindol-3-yl)ethanone

C12H13NO2 — CID 117121155

IUPAC1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
SMILESCCn1cc(C(C)=O)c2cc(O)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-11(8(2)14)10-6-9(15)4-5-12(10)13/h4-7,15H,3H2,1-2H3
InChIKeyVKPBQEUOBSTCKQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.57
Rot. Bonds2

About 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone

1-(1-ethyl-5-hydroxyindol-3-yl)ethanone (PubChem CID 117121155) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
PubChem CID117121155
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name1-(1-ethyl-5-hydroxyindol-3-yl)ethanone
SMILESCCn1cc(C(C)=O)c2cc(O)ccc21
InChIInChI=1S/C12H13NO2/c1-3-13-7-11(8(2)14)10-6-9(15)4-5-12(10)13/h4-7,15H,3H2,1-2H3
InChIKeyVKPBQEUOBSTCKQ-UHFFFAOYSA-N
XLogP2.57
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone?
The IUPAC name of 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone (CID 117121155) is 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone.
What is the SMILES notation for 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone?
The canonical SMILES for 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone is CCn1cc(C(C)=O)c2cc(O)ccc21.
What is the InChIKey of 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone?
The InChIKey is VKPBQEUOBSTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-13-7-11(8(2)14)10-6-9(15)4-5-12(10)13/h4-7,15H,3H2,1-2H3.
What are the key properties of 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone?
1-(1-ethyl-5-hydroxyindol-3-yl)ethanone has a molecular weight of 203.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-hydroxyindol-3-yl)ethanone is sourced from PubChem (CID 117121155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).