2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone

Name: 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₉NO — CID 58062913

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone

SMILESCc1cc(C)c(C(=O)C[C@H]2CCC[C@H]2N2CCCC2)c(C)c1

InChIInChI=1S/C20H29NO/c1-14-11-15(2)20(16(3)12-14)19(22)13-17-7-6-8-18(17)21-9-4-5-10-21/h11-12,17-18H,4-10,13H2,1-3H3/t17-,18-/m1/s1

InChIKeyGAQKGMIQQIDUDN-QZTJIDSGSA-N

MW299.46 g/mol

LogP4.45

Rot. Bonds4

About 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone

2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 58062913) has the molecular formula C₂₀H₂₉NO and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name	2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID	58062913
Molecular Formula	C₂₀H₂₉NO
Molecular Weight	299.46 g/mol
Exact Mass	299.22
IUPAC Name	2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone
SMILES	Cc1cc(C)c(C(=O)C[C@H]2CCC[C@H]2N2CCCC2)c(C)c1
InChI	InChI=1S/C20H29NO/c1-14-11-15(2)20(16(3)12-14)19(22)13-17-7-6-8-18(17)21-9-4-5-10-21/h11-12,17-18H,4-10,13H2,1-3H3/t17-,18-/m1/s1
InChIKey	GAQKGMIQQIDUDN-QZTJIDSGSA-N
XLogP	4.45
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	4
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.46
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone?

The IUPAC name of 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone (CID 58062913) is 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone.

What is the SMILES notation for 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone?

The canonical SMILES for 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)C[C@H]2CCC[C@H]2N2CCCC2)c(C)c1.

What is the InChIKey of 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone?

The InChIKey is GAQKGMIQQIDUDN-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H29NO/c1-14-11-15(2)20(16(3)12-14)19(22)13-17-7-6-8-18(17)21-9-4-5-10-21/h11-12,17-18H,4-10,13H2,1-3H3/t17-,18-/m1/s1.

What are the key properties of 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone?

2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 299.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 58062913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 58062913 — identifiers, structure, computed properties (public domain)

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