1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone

C15H21NO — CID 116583457

IUPAC1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone
SMILESCCCc1cccc(C(=O)CC2CCNC2)c1
InChIInChI=1S/C15H21NO/c1-2-4-12-5-3-6-14(9-12)15(17)10-13-7-8-16-11-13/h3,5-6,9,13,16H,2,4,7-8,10-11H2,1H3
InChIKeyYFHPUTRADSCKPX-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.82
Rot. Bonds5

About 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone

1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone (PubChem CID 116583457) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone.

Molecular Properties

Compound Name1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone
PubChem CID116583457
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone
SMILESCCCc1cccc(C(=O)CC2CCNC2)c1
InChIInChI=1S/C15H21NO/c1-2-4-12-5-3-6-14(9-12)15(17)10-13-7-8-16-11-13/h3,5-6,9,13,16H,2,4,7-8,10-11H2,1H3
InChIKeyYFHPUTRADSCKPX-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-morpholin-2-yl-1-(3-propylphenyl)ethanone
CID 116586299
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
1-(3-bromo-4-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116917050
1-(3-propylphenyl)heptan-1-one
CID 115812204
6-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methanone
CID 115812266
2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
CID 103543782
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone?
The IUPAC name of 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone (CID 116583457) is 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone.
What is the SMILES notation for 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone?
The canonical SMILES for 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone is CCCc1cccc(C(=O)CC2CCNC2)c1.
What is the InChIKey of 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone?
The InChIKey is YFHPUTRADSCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-4-12-5-3-6-14(9-12)15(17)10-13-7-8-16-11-13/h3,5-6,9,13,16H,2,4,7-8,10-11H2,1H3.
What are the key properties of 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone?
1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone has a molecular weight of 231.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylphenyl)-2-pyrrolidin-3-ylethanone is sourced from PubChem (CID 116583457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).