5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one

C15H17NO4 — CID 58249802

IUPAC5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CC[C@@H](C2CCC(=O)N2OCc2ccccc2)O1
InChIInChI=1S/C15H17NO4/c17-14-8-6-12(13-7-9-15(18)20-13)16(14)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12?,13-/m0/s1
InChIKeyKZZUZMSSNHXJSM-ABLWVSNPSA-N
MW275.30 g/mol
LogP1.81
Rot. Bonds4

About 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one

5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one (PubChem CID 58249802) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
PubChem CID58249802
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
SMILESO=C1CC[C@@H](C2CCC(=O)N2OCc2ccccc2)O1
InChIInChI=1S/C15H17NO4/c17-14-8-6-12(13-7-9-15(18)20-13)16(14)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12?,13-/m0/s1
InChIKeyKZZUZMSSNHXJSM-ABLWVSNPSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one (CID 58249802) is 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one is O=C1CC[C@@H](C2CCC(=O)N2OCc2ccccc2)O1.
What is the InChIKey of 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is KZZUZMSSNHXJSM-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H17NO4/c17-14-8-6-12(13-7-9-15(18)20-13)16(14)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12?,13-/m0/s1.
What are the key properties of 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one?
5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 275.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 58249802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).