2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

C16H28N2O2 — CID 103164909

IUPAC2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESCCOC1CC(CC(=O)N2CCCC2C2CCCN2)C1
InChIInChI=1S/C16H28N2O2/c1-2-20-13-9-12(10-13)11-16(19)18-8-4-6-15(18)14-5-3-7-17-14/h12-15,17H,2-11H2,1H3
InChIKeyORHATHRNZBLVIJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.93
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 103164909) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID103164909
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESCCOC1CC(CC(=O)N2CCCC2C2CCCN2)C1
InChIInChI=1S/C16H28N2O2/c1-2-20-13-9-12(10-13)11-16(19)18-8-4-6-15(18)14-5-3-7-17-14/h12-15,17H,2-11H2,1H3
InChIKeyORHATHRNZBLVIJ-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (CID 103164909) is 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is CCOC1CC(CC(=O)N2CCCC2C2CCCN2)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is ORHATHRNZBLVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-13-9-12(10-13)11-16(19)18-8-4-6-15(18)14-5-3-7-17-14/h12-15,17H,2-11H2,1H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 280.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 103164909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).