1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone

C11H21NO3 — CID 59911149

IUPAC1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
SMILESCC[C@@H]1C[C@H](C(C)=O)N(C)[C@H]1C(O)CO
InChIInChI=1S/C11H21NO3/c1-4-8-5-9(7(2)14)12(3)11(8)10(15)6-13/h8-11,13,15H,4-6H2,1-3H3/t8-,9-,10?,11-/m1/s1
InChIKeyFZZSUHBGGBHKMR-JHOLWCCGSA-N
MW215.29 g/mol
LogP0.03
Rot. Bonds4

About 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone

1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 59911149) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
PubChem CID59911149
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone
SMILESCC[C@@H]1C[C@H](C(C)=O)N(C)[C@H]1C(O)CO
InChIInChI=1S/C11H21NO3/c1-4-8-5-9(7(2)14)12(3)11(8)10(15)6-13/h8-11,13,15H,4-6H2,1-3H3/t8-,9-,10?,11-/m1/s1
InChIKeyFZZSUHBGGBHKMR-JHOLWCCGSA-N
XLogP0.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone (CID 59911149) is 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone is CC[C@@H]1C[C@H](C(C)=O)N(C)[C@H]1C(O)CO.
What is the InChIKey of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is FZZSUHBGGBHKMR-JHOLWCCGSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-8-5-9(7(2)14)12(3)11(8)10(15)6-13/h8-11,13,15H,4-6H2,1-3H3/t8-,9-,10?,11-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone?
1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 215.29 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethyl-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59911149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).