2-(7-ethylindol-1-yl)acetic acid

C12H13NO2 — CID 28602716

IUPAC2-(7-ethylindol-1-yl)acetic acid
SMILESCCc1cccc2ccn(CC(=O)O)c12
InChIInChI=1S/C12H13NO2/c1-2-9-4-3-5-10-6-7-13(12(9)10)8-11(14)15/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyCSXNPBXXKIKCKK-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.29
Rot. Bonds3

About 2-(7-ethylindol-1-yl)acetic acid

2-(7-ethylindol-1-yl)acetic acid (PubChem CID 28602716) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(7-ethylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethylindol-1-yl)acetic acid
PubChem CID28602716
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(7-ethylindol-1-yl)acetic acid
SMILESCCc1cccc2ccn(CC(=O)O)c12
InChIInChI=1S/C12H13NO2/c1-2-9-4-3-5-10-6-7-13(12(9)10)8-11(14)15/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyCSXNPBXXKIKCKK-UHFFFAOYSA-N
XLogP2.29
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethylindol-1-yl)acetic acid?
The IUPAC name of 2-(7-ethylindol-1-yl)acetic acid (CID 28602716) is 2-(7-ethylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(7-ethylindol-1-yl)acetic acid?
The canonical SMILES for 2-(7-ethylindol-1-yl)acetic acid is CCc1cccc2ccn(CC(=O)O)c12.
What is the InChIKey of 2-(7-ethylindol-1-yl)acetic acid?
The InChIKey is CSXNPBXXKIKCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-9-4-3-5-10-6-7-13(12(9)10)8-11(14)15/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of 2-(7-ethylindol-1-yl)acetic acid?
2-(7-ethylindol-1-yl)acetic acid has a molecular weight of 203.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethylindol-1-yl)acetic acid is sourced from PubChem (CID 28602716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).