(3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione

C18H17NO3 — CID 11033761

IUPAC(3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17-11-16(22-13-15-9-5-2-6-10-15)18(21)19(17)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyVFSKBGKZWJNHOT-INIZCTEOSA-N
MW295.34 g/mol
LogP2.53
Rot. Bonds5

About (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione

(3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione (PubChem CID 11033761) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione
PubChem CID11033761
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO3/c20-17-11-16(22-13-15-9-5-2-6-10-15)18(21)19(17)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyVFSKBGKZWJNHOT-INIZCTEOSA-N
XLogP2.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
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)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione (CID 11033761) is (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione is O=C1C[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione?
The InChIKey is VFSKBGKZWJNHOT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17-11-16(22-13-15-9-5-2-6-10-15)18(21)19(17)12-14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione?
(3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione has a molecular weight of 295.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-phenylmethoxypyrrolidine-2,5-dione is sourced from PubChem (CID 11033761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).