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

C10H16N2O3 — CID 61348456

IUPAC1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione
SMILESCO[C@H]1CNCC1N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-6-3-9(13)12(10(6)14)7-4-11-5-8(7)15-2/h6-8,11H,3-5H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyWBDCOSYJYHAEKG-RRQHEKLDSA-N
MW212.25 g/mol
LogP-0.63
Rot. Bonds2

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

1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione (PubChem CID 61348456) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione
PubChem CID61348456
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione
SMILESCO[C@H]1CNCC1N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-6-3-9(13)12(10(6)14)7-4-11-5-8(7)15-2/h6-8,11H,3-5H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyWBDCOSYJYHAEKG-RRQHEKLDSA-N
XLogP-0.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.63
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-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione (CID 61348456) is 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione is CO[C@H]1CNCC1N1C(=O)CC(C)C1=O.
What is the InChIKey of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is WBDCOSYJYHAEKG-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6-3-9(13)12(10(6)14)7-4-11-5-8(7)15-2/h6-8,11H,3-5H2,1-2H3/t6?,7?,8-/m0/s1.
What are the key properties of 1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione?
1-[(4S)-4-methoxypyrrolidin-3-yl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.63, 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-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61348456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).