1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one

C23H22N2O2 — CID 59552090

IUPAC1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccccc1)[C@H](Oc1ccccn1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c26-21-15-9-17-25(21)22(18-10-3-1-4-11-18)23(19-12-5-2-6-13-19)27-20-14-7-8-16-24-20/h1-8,10-14,16,22-23H,9,15,17H2/t22-,23+/m0/s1
InChIKeyCRGBNWZXLLWUHC-XZOQPEGZSA-N
MW358.44 g/mol
LogP4.57
Rot. Bonds6

About 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one

1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one (PubChem CID 59552090) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
PubChem CID59552090
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
SMILESO=C1CCCN1[C@@H](c1ccccc1)[C@H](Oc1ccccn1)c1ccccc1
InChIInChI=1S/C23H22N2O2/c26-21-15-9-17-25(21)22(18-10-3-1-4-11-18)23(19-12-5-2-6-13-19)27-20-14-7-8-16-24-20/h1-8,10-14,16,22-23H,9,15,17H2/t22-,23+/m0/s1
InChIKeyCRGBNWZXLLWUHC-XZOQPEGZSA-N
XLogP4.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one (CID 59552090) is 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one is O=C1CCCN1[C@@H](c1ccccc1)[C@H](Oc1ccccn1)c1ccccc1.
What is the InChIKey of 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one?
The InChIKey is CRGBNWZXLLWUHC-XZOQPEGZSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-21-15-9-17-25(21)22(18-10-3-1-4-11-18)23(19-12-5-2-6-13-19)27-20-14-7-8-16-24-20/h1-8,10-14,16,22-23H,9,15,17H2/t22-,23+/m0/s1.
What are the key properties of 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one?
1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 59552090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).