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

C10H19NO3 — CID 59911058

IUPAC1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone
SMILESCC[C@@H]1C[C@H](C(C)=O)N[C@H]1C(O)CO
InChIInChI=1S/C10H19NO3/c1-3-7-4-8(6(2)13)11-10(7)9(14)5-12/h7-12,14H,3-5H2,1-2H3/t7-,8-,9?,10-/m1/s1
InChIKeyJDIPMEAZKSYVLU-XKSJUCENSA-N
MW201.27 g/mol
LogP-0.31
Rot. Bonds4

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

1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone (PubChem CID 59911058) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone
PubChem CID59911058
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone
SMILESCC[C@@H]1C[C@H](C(C)=O)N[C@H]1C(O)CO
InChIInChI=1S/C10H19NO3/c1-3-7-4-8(6(2)13)11-10(7)9(14)5-12/h7-12,14H,3-5H2,1-2H3/t7-,8-,9?,10-/m1/s1
InChIKeyJDIPMEAZKSYVLU-XKSJUCENSA-N
XLogP-0.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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-ethylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone (CID 59911058) is 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone is CC[C@@H]1C[C@H](C(C)=O)N[C@H]1C(O)CO.
What is the InChIKey of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone?
The InChIKey is JDIPMEAZKSYVLU-XKSJUCENSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-7-4-8(6(2)13)11-10(7)9(14)5-12/h7-12,14H,3-5H2,1-2H3/t7-,8-,9?,10-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone?
1-[(2R,4R,5R)-5-(1,2-dihydroxyethyl)-4-ethylpyrrolidin-2-yl]ethanone has a molecular weight of 201.27 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 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-ethylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59911058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).