2-(2-methylindol-2-yl)acetic acid

C11H11NO2 — CID 18971638

IUPAC2-(2-methylindol-2-yl)acetic acid
SMILESCC1(CC(=O)O)C=c2ccccc2=N1
InChIInChI=1S/C11H11NO2/c1-11(7-10(13)14)6-8-4-2-3-5-9(8)12-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeyVBCSROMPJPYWBB-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.33
Rot. Bonds2

About 2-(2-methylindol-2-yl)acetic acid

2-(2-methylindol-2-yl)acetic acid (PubChem CID 18971638) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(2-methylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methylindol-2-yl)acetic acid
PubChem CID18971638
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(2-methylindol-2-yl)acetic acid
SMILESCC1(CC(=O)O)C=c2ccccc2=N1
InChIInChI=1S/C11H11NO2/c1-11(7-10(13)14)6-8-4-2-3-5-9(8)12-11/h2-6H,7H2,1H3,(H,13,14)
InChIKeyVBCSROMPJPYWBB-UHFFFAOYSA-N
XLogP0.33
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-2-yl)acetic acid?
The IUPAC name of 2-(2-methylindol-2-yl)acetic acid (CID 18971638) is 2-(2-methylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methylindol-2-yl)acetic acid?
The canonical SMILES for 2-(2-methylindol-2-yl)acetic acid is CC1(CC(=O)O)C=c2ccccc2=N1.
What is the InChIKey of 2-(2-methylindol-2-yl)acetic acid?
The InChIKey is VBCSROMPJPYWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-11(7-10(13)14)6-8-4-2-3-5-9(8)12-11/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 2-(2-methylindol-2-yl)acetic acid?
2-(2-methylindol-2-yl)acetic acid has a molecular weight of 189.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-2-yl)acetic acid is sourced from PubChem (CID 18971638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).