[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone

C17H16N2O3 — CID 118694898

IUPAC[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13-10-15(16(21)14-8-4-5-9-18-14)19(11-13)17(22)12-6-2-1-3-7-12/h1-9,13,15,20H,10-11H2/t13-,15-/m1/s1
InChIKeyHXVNELGJZNSSQR-UKRRQHHQSA-N
MW296.33 g/mol
LogP1.54
Rot. Bonds3

About [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone

[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone (PubChem CID 118694898) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone
PubChem CID118694898
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3/c20-13-10-15(16(21)14-8-4-5-9-18-14)19(11-13)17(22)12-6-2-1-3-7-12/h1-9,13,15,20H,10-11H2/t13-,15-/m1/s1
InChIKeyHXVNELGJZNSSQR-UKRRQHHQSA-N
XLogP1.54
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone (CID 118694898) is [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1.
What is the InChIKey of [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone?
The InChIKey is HXVNELGJZNSSQR-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-13-10-15(16(21)14-8-4-5-9-18-14)19(11-13)17(22)12-6-2-1-3-7-12/h1-9,13,15,20H,10-11H2/t13-,15-/m1/s1.
What are the key properties of [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone?
[(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-1-benzoyl-4-hydroxypyrrolidin-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118694898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).