2-(4,7-dimethyl-1H-indol-3-yl)acetic acid

C12H13NO2 — CID 22751

IUPAC2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
SMILESCc1ccc(C)c2c(CC(=O)O)c[nH]c12
InChIInChI=1S/C12H13NO2/c1-7-3-4-8(2)12-11(7)9(6-13-12)5-10(14)15/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyJEDHWHYXMXJLON-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.41
Rot. Bonds2

About 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid

2-(4,7-dimethyl-1H-indol-3-yl)acetic acid (PubChem CID 22751) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
PubChem CID22751
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
SMILESCc1ccc(C)c2c(CC(=O)O)c[nH]c12
InChIInChI=1S/C12H13NO2/c1-7-3-4-8(2)12-11(7)9(6-13-12)5-10(14)15/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyJEDHWHYXMXJLON-UHFFFAOYSA-N
XLogP2.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid (CID 22751) is 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid is Cc1ccc(C)c2c(CC(=O)O)c[nH]c12.
What is the InChIKey of 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid?
The InChIKey is JEDHWHYXMXJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-3-4-8(2)12-11(7)9(6-13-12)5-10(14)15/h3-4,6,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid?
2-(4,7-dimethyl-1H-indol-3-yl)acetic acid has a molecular weight of 203.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 22751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).