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

C12H13NO3 — CID 11769958

IUPAC(3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C12H13NO3/c1-9-7-11(14)13(12(9)15)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeyIGBWKBZEVDQUIK-VIFPVBQESA-N
MW219.24 g/mol
LogP1.51
Rot. Bonds3

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

(3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione (PubChem CID 11769958) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione
PubChem CID11769958
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione
SMILESC[C@H]1CC(=O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C12H13NO3/c1-9-7-11(14)13(12(9)15)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKeyIGBWKBZEVDQUIK-VIFPVBQESA-N
XLogP1.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.51
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)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione (CID 11769958) is (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione is C[C@H]1CC(=O)N(OCc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione?
The InChIKey is IGBWKBZEVDQUIK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13NO3/c1-9-7-11(14)13(12(9)15)16-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione?
(3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione has a molecular weight of 219.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-phenylmethoxypyrrolidine-2,5-dione is sourced from PubChem (CID 11769958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).