2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid

C13H15NO3 — CID 82496057

IUPAC2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCC(=O)N1CC(CC(=O)O)c2cccc(C)c21
InChIInChI=1S/C13H15NO3/c1-8-4-3-5-11-10(6-12(16)17)7-14(9(2)15)13(8)11/h3-5,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyXSEBTLOWSDPVCC-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.92
Rot. Bonds2

About 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid

2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid (PubChem CID 82496057) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid
PubChem CID82496057
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid
SMILESCC(=O)N1CC(CC(=O)O)c2cccc(C)c21
InChIInChI=1S/C13H15NO3/c1-8-4-3-5-11-10(6-12(16)17)7-14(9(2)15)13(8)11/h3-5,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyXSEBTLOWSDPVCC-UHFFFAOYSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid?
The IUPAC name of 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid (CID 82496057) is 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid.
What is the SMILES notation for 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid?
The canonical SMILES for 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid is CC(=O)N1CC(CC(=O)O)c2cccc(C)c21.
What is the InChIKey of 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid?
The InChIKey is XSEBTLOWSDPVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-4-3-5-11-10(6-12(16)17)7-14(9(2)15)13(8)11/h3-5,10H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid?
2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-7-methyl-2,3-dihydroindol-3-yl)acetic acid is sourced from PubChem (CID 82496057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).