[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone

C16H16N2O3 — CID 110145191

IUPAC[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C16H16N2O3/c19-14-10-18(16(20)12-6-8-17-9-7-12)11-15(14)21-13-4-2-1-3-5-13/h1-9,14-15,19H,10-11H2/t14-,15-/m1/s1
InChIKeyOHSGOGYVDDINRX-HUUCEWRRSA-N
MW284.31 g/mol
LogP1.35
Rot. Bonds3

About [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone

[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110145191) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110145191
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1
InChIInChI=1S/C16H16N2O3/c19-14-10-18(16(20)12-6-8-17-9-7-12)11-15(14)21-13-4-2-1-3-5-13/h1-9,14-15,19H,10-11H2/t14-,15-/m1/s1
InChIKeyOHSGOGYVDDINRX-HUUCEWRRSA-N
XLogP1.35
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 110145191) is [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1.
What is the InChIKey of [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is OHSGOGYVDDINRX-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14-10-18(16(20)12-6-8-17-9-7-12)11-15(14)21-13-4-2-1-3-5-13/h1-9,14-15,19H,10-11H2/t14-,15-/m1/s1.
What are the key properties of [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 284.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-hydroxy-4-phenoxypyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110145191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).