2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid

C13H17NO2 — CID 82276720

IUPAC2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCCc1ccc2c(c1)C(CC(=O)O)CN2C
InChIInChI=1S/C13H17NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8-14(12)2/h4-6,10H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyGJUWOQYZNMUPHI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid

2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 82276720) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID82276720
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCCc1ccc2c(c1)C(CC(=O)O)CN2C
InChIInChI=1S/C13H17NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8-14(12)2/h4-6,10H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyGJUWOQYZNMUPHI-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid (CID 82276720) is 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid is CCc1ccc2c(c1)C(CC(=O)O)CN2C.
What is the InChIKey of 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is GJUWOQYZNMUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-4-5-12-11(6-9)10(7-13(15)16)8-14(12)2/h4-6,10H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid?
2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1-methyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 82276720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).