2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid

C20H21NO2 — CID 56891124

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C20H21NO2/c22-20(23)19-8-4-3-7-18(19)16-9-10-21(13-16)17-11-14-5-1-2-6-15(14)12-17/h1-8,16-17H,9-13H2,(H,22,23)
InChIKeyNHNNIEGDJHBRFT-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid

2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid (PubChem CID 56891124) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid
PubChem CID56891124
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid
SMILESO=C(O)c1ccccc1C1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C20H21NO2/c22-20(23)19-8-4-3-7-18(19)16-9-10-21(13-16)17-11-14-5-1-2-6-15(14)12-17/h1-8,16-17H,9-13H2,(H,22,23)
InChIKeyNHNNIEGDJHBRFT-UHFFFAOYSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid (CID 56891124) is 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid is O=C(O)c1ccccc1C1CCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid?
The InChIKey is NHNNIEGDJHBRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-20(23)19-8-4-3-7-18(19)16-9-10-21(13-16)17-11-14-5-1-2-6-15(14)12-17/h1-8,16-17H,9-13H2,(H,22,23).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid?
2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid has a molecular weight of 307.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]benzoic acid is sourced from PubChem (CID 56891124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).