2-(4,7-dimethylindol-1-yl)acetic acid

C12H13NO2 — CID 83944897

IUPAC2-(4,7-dimethylindol-1-yl)acetic acid
SMILESCc1ccc(C)c2c1ccn2CC(=O)O
InChIInChI=1S/C12H13NO2/c1-8-3-4-9(2)12-10(8)5-6-13(12)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyXLPGICKVESWZRY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.34
Rot. Bonds2

About 2-(4,7-dimethylindol-1-yl)acetic acid

2-(4,7-dimethylindol-1-yl)acetic acid (PubChem CID 83944897) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(4,7-dimethylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4,7-dimethylindol-1-yl)acetic acid
PubChem CID83944897
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(4,7-dimethylindol-1-yl)acetic acid
SMILESCc1ccc(C)c2c1ccn2CC(=O)O
InChIInChI=1S/C12H13NO2/c1-8-3-4-9(2)12-10(8)5-6-13(12)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyXLPGICKVESWZRY-UHFFFAOYSA-N
XLogP2.34
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethylindol-1-yl)acetic acid?
The IUPAC name of 2-(4,7-dimethylindol-1-yl)acetic acid (CID 83944897) is 2-(4,7-dimethylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(4,7-dimethylindol-1-yl)acetic acid?
The canonical SMILES for 2-(4,7-dimethylindol-1-yl)acetic acid is Cc1ccc(C)c2c1ccn2CC(=O)O.
What is the InChIKey of 2-(4,7-dimethylindol-1-yl)acetic acid?
The InChIKey is XLPGICKVESWZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8-3-4-9(2)12-10(8)5-6-13(12)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,7-dimethylindol-1-yl)acetic acid?
2-(4,7-dimethylindol-1-yl)acetic acid has a molecular weight of 203.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethylindol-1-yl)acetic acid is sourced from PubChem (CID 83944897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).