2-(7-ethyl-1-methylindol-2-yl)acetic acid

C13H15NO2 — CID 83859943

IUPAC2-(7-ethyl-1-methylindol-2-yl)acetic acid
SMILESCCc1cccc2cc(CC(=O)O)n(C)c12
InChIInChI=1S/C13H15NO2/c1-3-9-5-4-6-10-7-11(8-12(15)16)14(2)13(9)10/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyKDILULXQPPPOME-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.37
Rot. Bonds3

About 2-(7-ethyl-1-methylindol-2-yl)acetic acid

2-(7-ethyl-1-methylindol-2-yl)acetic acid (PubChem CID 83859943) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(7-ethyl-1-methylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-1-methylindol-2-yl)acetic acid
PubChem CID83859943
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(7-ethyl-1-methylindol-2-yl)acetic acid
SMILESCCc1cccc2cc(CC(=O)O)n(C)c12
InChIInChI=1S/C13H15NO2/c1-3-9-5-4-6-10-7-11(8-12(15)16)14(2)13(9)10/h4-7H,3,8H2,1-2H3,(H,15,16)
InChIKeyKDILULXQPPPOME-UHFFFAOYSA-N
XLogP2.37
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1-methylindol-2-yl)acetic acid?
The IUPAC name of 2-(7-ethyl-1-methylindol-2-yl)acetic acid (CID 83859943) is 2-(7-ethyl-1-methylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-1-methylindol-2-yl)acetic acid?
The canonical SMILES for 2-(7-ethyl-1-methylindol-2-yl)acetic acid is CCc1cccc2cc(CC(=O)O)n(C)c12.
What is the InChIKey of 2-(7-ethyl-1-methylindol-2-yl)acetic acid?
The InChIKey is KDILULXQPPPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-3-9-5-4-6-10-7-11(8-12(15)16)14(2)13(9)10/h4-7H,3,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-ethyl-1-methylindol-2-yl)acetic acid?
2-(7-ethyl-1-methylindol-2-yl)acetic acid has a molecular weight of 217.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1-methylindol-2-yl)acetic acid is sourced from PubChem (CID 83859943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).