2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one

C13H23NO2 — CID 79570162

IUPAC2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one
SMILESCOCC1CCN(CCC2CCCC2=O)C1
InChIInChI=1S/C13H23NO2/c1-16-10-11-5-7-14(9-11)8-6-12-3-2-4-13(12)15/h11-12H,2-10H2,1H3
InChIKeyXTYAPOKGZDVTBQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.71
Rot. Bonds5

About 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one

2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one (PubChem CID 79570162) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one
PubChem CID79570162
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one
SMILESCOCC1CCN(CCC2CCCC2=O)C1
InChIInChI=1S/C13H23NO2/c1-16-10-11-5-7-14(9-11)8-6-12-3-2-4-13(12)15/h11-12H,2-10H2,1H3
InChIKeyXTYAPOKGZDVTBQ-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one (CID 79570162) is 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one is COCC1CCN(CCC2CCCC2=O)C1.
What is the InChIKey of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one?
The InChIKey is XTYAPOKGZDVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-16-10-11-5-7-14(9-11)8-6-12-3-2-4-13(12)15/h11-12H,2-10H2,1H3.
What are the key properties of 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one?
2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one has a molecular weight of 225.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79570162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).