2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

C18H25NO — CID 79058182

IUPAC2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCc1cccc(CC(=O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C18H25NO/c1-15-7-6-8-16(13-15)14-17(20)18(9-2-3-10-18)19-11-4-5-12-19/h6-8,13H,2-5,9-12,14H2,1H3
InChIKeyPEGWGAIBORFBLM-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.52
Rot. Bonds4

About 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone

2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (PubChem CID 79058182) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
PubChem CID79058182
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
SMILESCc1cccc(CC(=O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C18H25NO/c1-15-7-6-8-16(13-15)14-17(20)18(9-2-3-10-18)19-11-4-5-12-19/h6-8,13H,2-5,9-12,14H2,1H3
InChIKeyPEGWGAIBORFBLM-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79058233
1-(1-aminocyclobutyl)-2-(3-methylphenyl)ethanone
CID 116598493
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
2-(4-bromophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79058174
1-(1-adamantyl)-2-(3-methylphenyl)ethanone
CID 62389784
2-(2-fluorophenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone
CID 79057927
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
(3,5-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057457
2-(3-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982052
(2,4-dimethylphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057464
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone (CID 79058182) is 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is Cc1cccc(CC(=O)C2(N3CCCC3)CCCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
The InChIKey is PEGWGAIBORFBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-15-7-6-8-16(13-15)14-17(20)18(9-2-3-10-18)19-11-4-5-12-19/h6-8,13H,2-5,9-12,14H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone?
2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone has a molecular weight of 271.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanone is sourced from PubChem (CID 79058182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).