2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone

C14H25NO2 — CID 106976723

IUPAC2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)CC2CCOCC2)CCCN1
InChIInChI=1S/C14H25NO2/c1-2-6-14(7-3-8-15-14)13(16)11-12-4-9-17-10-5-12/h12,15H,2-11H2,1H3
InChIKeyQMRFCCJLFGZWOR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.29
Rot. Bonds5

About 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone

2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone (PubChem CID 106976723) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
PubChem CID106976723
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone
SMILESCCCC1(C(=O)CC2CCOCC2)CCCN1
InChIInChI=1S/C14H25NO2/c1-2-6-14(7-3-8-15-14)13(16)11-12-4-9-17-10-5-12/h12,15H,2-11H2,1H3
InChIKeyQMRFCCJLFGZWOR-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,3a,4,6,7,7a-Octahydropyrano[3,4-c]pyrrol-1-yl)propan-1-one
CID 68300292
3-(Oxolan-3-yl)-1-piperidin-4-ylpropan-1-one
CID 68853885
(2,3-dimethyloxan-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 70488592
(2S)-1-cyclopropyl-2-(1-methoxyethylamino)-2-(oxan-4-yl)ethanone
CID 144153741
(1S)-3-methyl-1-(oxan-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 164724435
(1S)-1-(ethylamino)-3-methyl-1-(oxan-4-yl)butan-2-one
CID 167006075
3-Methyl-1-(oxan-4-yl)-1-(propan-2-ylamino)butan-2-one
CID 167006079
(1S)-1-(tert-butylamino)-3,3-dimethyl-1-(oxan-4-yl)butan-2-one
CID 176591201
Ethane;3-(methoxymethyl)-6-methyloctane;1-methoxypropane;propan-2-one;1-pyrrolidin-2-ylbutan-1-one
CID 177055406
3-Methyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylbutan-2-one
CID 79055689
3-(Diethylamino)-3-methyl-1-(oxan-4-yl)pentan-2-one
CID 79063678
3-Ethyl-1-(oxan-4-yl)-3-pyrrolidin-1-ylpentan-2-one
CID 79067645

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone (CID 106976723) is 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone is CCCC1(C(=O)CC2CCOCC2)CCCN1.
What is the InChIKey of 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
The InChIKey is QMRFCCJLFGZWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-6-14(7-3-8-15-14)13(16)11-12-4-9-17-10-5-12/h12,15H,2-11H2,1H3.
What are the key properties of 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone?
2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone has a molecular weight of 239.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-(2-propylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 106976723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).