3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one

C11H16N2O2 — CID 82056047

IUPAC3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCCN1CCCC1
InChIInChI=1S/C11H16N2O2/c14-11-10(4-3-5-12-11)15-9-8-13-6-1-2-7-13/h3-5H,1-2,6-9H2,(H,12,14)
InChIKeyPEQRXXMVMYVIRB-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.85
Rot. Bonds4

About 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one

3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one (PubChem CID 82056047) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
PubChem CID82056047
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OCCN1CCCC1
InChIInChI=1S/C11H16N2O2/c14-11-10(4-3-5-12-11)15-9-8-13-6-1-2-7-13/h3-5H,1-2,6-9H2,(H,12,14)
InChIKeyPEQRXXMVMYVIRB-UHFFFAOYSA-N
XLogP0.85
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(4-phenoxybutoxy)-1H-pyridin-2-one
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3-dodecoxy-1H-pyridin-2-one
CID 123606468
1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
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1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine
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CID 107713118
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one (CID 82056047) is 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one is O=c1[nH]cccc1OCCN1CCCC1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one?
The InChIKey is PEQRXXMVMYVIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c14-11-10(4-3-5-12-11)15-9-8-13-6-1-2-7-13/h3-5H,1-2,6-9H2,(H,12,14).
What are the key properties of 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one?
3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 82056047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).