1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone

C15H21NO — CID 43219358

IUPAC1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCCc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-5-13-6-8-14(9-7-13)15(17)12-16-10-3-4-11-16/h6-9H,2-5,10-12H2,1H3
InChIKeyQKLJSGPJYABPRC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone

1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 43219358) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID43219358
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCCc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C15H21NO/c1-2-5-13-6-8-14(9-7-13)15(17)12-16-10-3-4-11-16/h6-9H,2-5,10-12H2,1H3
InChIKeyQKLJSGPJYABPRC-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propylphenyl)-2-(1,4-thiazepan-4-yl)ethanone
CID 62030887
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
2-morpholin-4-yl-1-(4-propylphenyl)ethanone
CID 43219458
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
1-[4-(2-phenylethyl)phenyl]-2-piperidin-1-ylethanone
CID 54451511
1-[4-(chloromethyl)phenyl]-2-pyrrolidin-1-ylethanone
CID 154989452
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
2-(4-methylpiperazin-1-yl)-1-(4-octylphenyl)ethanone
CID 170861609
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
2-(3-ethyl-4-methylpiperazin-1-yl)-1-(4-propylphenyl)ethanone
CID 63633398

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone (CID 43219358) is 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone is CCCc1ccc(C(=O)CN2CCCC2)cc1.
What is the InChIKey of 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is QKLJSGPJYABPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-5-13-6-8-14(9-7-13)15(17)12-16-10-3-4-11-16/h6-9H,2-5,10-12H2,1H3.
What are the key properties of 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone?
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 231.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43219358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).