(3S)-3-phenylmethoxypyrrolidine-2,5-dione

C11H11NO3 — CID 171487003

IUPAC(3S)-3-phenylmethoxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](OCc2ccccc2)C(=O)N1
InChIInChI=1S/C11H11NO3/c13-10-6-9(11(14)12-10)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1
InChIKeyPMKYAHWSSPVKOZ-VIFPVBQESA-N
MW205.21 g/mol
LogP0.62
Rot. Bonds3

About (3S)-3-phenylmethoxypyrrolidine-2,5-dione

(3S)-3-phenylmethoxypyrrolidine-2,5-dione (PubChem CID 171487003) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3S)-3-phenylmethoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-phenylmethoxypyrrolidine-2,5-dione
PubChem CID171487003
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3S)-3-phenylmethoxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](OCc2ccccc2)C(=O)N1
InChIInChI=1S/C11H11NO3/c13-10-6-9(11(14)12-10)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1
InChIKeyPMKYAHWSSPVKOZ-VIFPVBQESA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenylmethoxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-phenylmethoxypyrrolidine-2,5-dione (CID 171487003) is (3S)-3-phenylmethoxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-phenylmethoxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-phenylmethoxypyrrolidine-2,5-dione is O=C1C[C@H](OCc2ccccc2)C(=O)N1.
What is the InChIKey of (3S)-3-phenylmethoxypyrrolidine-2,5-dione?
The InChIKey is PMKYAHWSSPVKOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-6-9(11(14)12-10)15-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13,14)/t9-/m0/s1.
What are the key properties of (3S)-3-phenylmethoxypyrrolidine-2,5-dione?
(3S)-3-phenylmethoxypyrrolidine-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenylmethoxypyrrolidine-2,5-dione is sourced from PubChem (CID 171487003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).