1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione

C11H16N2O3 — CID 63267200

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCO[C@H]1CNCC1N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H16N2O3/c1-6-7(2)11(15)13(10(6)14)8-4-12-5-9(8)16-3/h8-9,12H,4-5H2,1-3H3/t8?,9-/m0/s1
InChIKeyWNCKTEJNUNWXPR-GKAPJAKFSA-N
MW224.26 g/mol
LogP-0.32
Rot. Bonds2

About 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione

1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 63267200) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID63267200
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione
SMILESCO[C@H]1CNCC1N1C(=O)C(C)=C(C)C1=O
InChIInChI=1S/C11H16N2O3/c1-6-7(2)11(15)13(10(6)14)8-4-12-5-9(8)16-3/h8-9,12H,4-5H2,1-3H3/t8?,9-/m0/s1
InChIKeyWNCKTEJNUNWXPR-GKAPJAKFSA-N
XLogP-0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione (CID 63267200) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione is CO[C@H]1CNCC1N1C(=O)C(C)=C(C)C1=O.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is WNCKTEJNUNWXPR-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-7(2)11(15)13(10(6)14)8-4-12-5-9(8)16-3/h8-9,12H,4-5H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione?
1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methoxypyrrolidin-3-yl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 63267200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).