5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid

C13H15NO3 — CID 747641

IUPAC5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H15NO3/c15-12(6-3-7-13(16)17)14-9-8-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9H2,(H,16,17)
InChIKeyWLWDQZUQQAIPLT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.83
Rot. Bonds4

About 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid

5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid (PubChem CID 747641) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid
PubChem CID747641
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H15NO3/c15-12(6-3-7-13(16)17)14-9-8-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9H2,(H,16,17)
InChIKeyWLWDQZUQQAIPLT-UHFFFAOYSA-N
XLogP1.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12764244
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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid (CID 747641) is 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid is O=C(O)CCCC(=O)N1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid?
The InChIKey is WLWDQZUQQAIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12(6-3-7-13(16)17)14-9-8-10-4-1-2-5-11(10)14/h1-2,4-5H,3,6-9H2,(H,16,17).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid?
5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 747641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).