2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone

C17H29NO3 — CID 103164795

IUPAC2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
SMILESCCOC1CC(CC(=O)N2CCCC2C2CCCC2O)C1
InChIInChI=1S/C17H29NO3/c1-2-21-13-9-12(10-13)11-17(20)18-8-4-6-15(18)14-5-3-7-16(14)19/h12-16,19H,2-11H2,1H3
InChIKeySRYCRYJSOIDJNX-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.34
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone

2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone (PubChem CID 103164795) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
PubChem CID103164795
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
SMILESCCOC1CC(CC(=O)N2CCCC2C2CCCC2O)C1
InChIInChI=1S/C17H29NO3/c1-2-21-13-9-12(10-13)11-17(20)18-8-4-6-15(18)14-5-3-7-16(14)19/h12-16,19H,2-11H2,1H3
InChIKeySRYCRYJSOIDJNX-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.34
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-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone (CID 103164795) is 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone is CCOC1CC(CC(=O)N2CCCC2C2CCCC2O)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SRYCRYJSOIDJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-2-21-13-9-12(10-13)11-17(20)18-8-4-6-15(18)14-5-3-7-16(14)19/h12-16,19H,2-11H2,1H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone?
2-(3-ethoxycyclobutyl)-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone has a molecular weight of 295.42 g/mol, XLogP of 2.34, 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-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 103164795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).