(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione

C13H14N2O2 — CID 6543666

IUPAC(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC2CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12-8-11(14-9-6-7-9)13(17)15(12)10-4-2-1-3-5-10/h1-5,9,11,14H,6-8H2/t11-/m1/s1
InChIKeyYXHWQGQJCLZEHC-LLVKDONJSA-N
MW230.27 g/mol
LogP1.07
Rot. Bonds3

About (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione

(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione (PubChem CID 6543666) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
PubChem CID6543666
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1C[C@@H](NC2CC2)C(=O)N1c1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12-8-11(14-9-6-7-9)13(17)15(12)10-4-2-1-3-5-10/h1-5,9,11,14H,6-8H2/t11-/m1/s1
InChIKeyYXHWQGQJCLZEHC-LLVKDONJSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.07
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 (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione (CID 6543666) is (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione is O=C1C[C@@H](NC2CC2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is YXHWQGQJCLZEHC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-8-11(14-9-6-7-9)13(17)15(12)10-4-2-1-3-5-10/h1-5,9,11,14H,6-8H2/t11-/m1/s1.
What are the key properties of (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione?
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 6543666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).