2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

C17H24N2O — CID 62274232

IUPAC2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC2C2CCCN2)cc1
InChIInChI=1S/C17H24N2O/c1-13-6-8-14(9-7-13)12-17(20)19-11-3-5-16(19)15-4-2-10-18-15/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeySTLXOEJIVAUMBU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 62274232) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID62274232
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESCc1ccc(CC(=O)N2CCCC2C2CCCN2)cc1
InChIInChI=1S/C17H24N2O/c1-13-6-8-14(9-7-13)12-17(20)19-11-3-5-16(19)15-4-2-10-18-15/h6-9,15-16,18H,2-5,10-12H2,1H3
InChIKeySTLXOEJIVAUMBU-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexen-1-yl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 55213742
2-(4-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119314457
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
(2-hydroxy-5-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62273196
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75841513
1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
N'-hydroxy-1-[2-(4-methylphenyl)acetyl]pyrrolidine-2-carboximidamide
CID 77036177
2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 103164909
1-[2-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63395233

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (CID 62274232) is 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is Cc1ccc(CC(=O)N2CCCC2C2CCCN2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is STLXOEJIVAUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-6-8-14(9-7-13)12-17(20)19-11-3-5-16(19)15-4-2-10-18-15/h6-9,15-16,18H,2-5,10-12H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 272.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62274232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).