2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate

C11H21NO3 — CID 22945302

IUPAC2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCC(CCO)C1C
InChIInChI=1S/C11H21NO3/c1-9-11(4-7-13)3-5-12(9)6-8-15-10(2)14/h9,11,13H,3-8H2,1-2H3
InChIKeyOGSLOVFUTUFQLY-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds5

About 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate

2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate (PubChem CID 22945302) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate
PubChem CID22945302
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCC(CCO)C1C
InChIInChI=1S/C11H21NO3/c1-9-11(4-7-13)3-5-12(9)6-8-15-10(2)14/h9,11,13H,3-8H2,1-2H3
InChIKeyOGSLOVFUTUFQLY-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate?
The IUPAC name of 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate (CID 22945302) is 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate is CC(=O)OCCN1CCC(CCO)C1C.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate?
The InChIKey is OGSLOVFUTUFQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9-11(4-7-13)3-5-12(9)6-8-15-10(2)14/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate?
2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-2-methylpyrrolidin-1-yl]ethyl acetate is sourced from PubChem (CID 22945302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).