2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone

C11H19NO2 — CID 103517344

IUPAC2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone
SMILESCOC1(CC(=O)N2CCCC2)CCC1
InChIInChI=1S/C11H19NO2/c1-14-11(5-4-6-11)9-10(13)12-7-2-3-8-12/h2-9H2,1H3
InChIKeyWZMTYVCQFJTAFB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.57
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone

2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone (PubChem CID 103517344) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone
PubChem CID103517344
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone
SMILESCOC1(CC(=O)N2CCCC2)CCC1
InChIInChI=1S/C11H19NO2/c1-14-11(5-4-6-11)9-10(13)12-7-2-3-8-12/h2-9H2,1H3
InChIKeyWZMTYVCQFJTAFB-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone (CID 103517344) is 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone is COC1(CC(=O)N2CCCC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is WZMTYVCQFJTAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(5-4-6-11)9-10(13)12-7-2-3-8-12/h2-9H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone?
2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 197.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 103517344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).