2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

C13H25NO2 — CID 112629807

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-10(2)11-6-7-14(8-11)12(15)9-16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyILHFFGCQTPKVRJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.31
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone

2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 112629807) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
PubChem CID112629807
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
SMILESCC(C)C1CCN(C(=O)COC(C)(C)C)C1
InChIInChI=1S/C13H25NO2/c1-10(2)11-6-7-14(8-11)12(15)9-16-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyILHFFGCQTPKVRJ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112603383
1-[3-(tert-butylamino)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 164785489
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968617
methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylate
CID 112603602
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
1-(4-ethyl-3-methylpiperazin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605165
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]ethanone
CID 90251705
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
1-(4-methylazepan-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112605170
1-(3,3-difluoroazetidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 167351986

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone (CID 112629807) is 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is CC(C)C1CCN(C(=O)COC(C)(C)C)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is ILHFFGCQTPKVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-10(2)11-6-7-14(8-11)12(15)9-16-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone?
2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 227.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 112629807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).