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

C20H29NO — CID 58062913

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 Name2-[(1R,2R)-2-pyrrolidin-1-ylcyclopentyl]-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID58062913
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Name2-[(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
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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).