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

C13H17NO2 — CID 115105698

IUPAC2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid
SMILESCCCN1CCc2cccc(CC(=O)O)c21
InChIInChI=1S/C13H17NO2/c1-2-7-14-8-6-10-4-3-5-11(13(10)14)9-12(15)16/h3-5H,2,6-9H2,1H3,(H,15,16)
InChIKeyCVSCOUGKHWUKPX-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.09
Rot. Bonds4

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

2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid (PubChem CID 115105698) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid
PubChem CID115105698
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid
SMILESCCCN1CCc2cccc(CC(=O)O)c21
InChIInChI=1S/C13H17NO2/c1-2-7-14-8-6-10-4-3-5-11(13(10)14)9-12(15)16/h3-5H,2,6-9H2,1H3,(H,15,16)
InChIKeyCVSCOUGKHWUKPX-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid?
The IUPAC name of 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid (CID 115105698) is 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid.
What is the SMILES notation for 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid?
The canonical SMILES for 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid is CCCN1CCc2cccc(CC(=O)O)c21.
What is the InChIKey of 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid?
The InChIKey is CVSCOUGKHWUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-7-14-8-6-10-4-3-5-11(13(10)14)9-12(15)16/h3-5H,2,6-9H2,1H3,(H,15,16).
What are the key properties of 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid?
2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid has a molecular weight of 219.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propyl-2,3-dihydroindol-7-yl)acetic acid is sourced from PubChem (CID 115105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).