1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione

C13H18N2O3 — CID 170653035

IUPAC1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione
SMILESCC(C)(C)N1CCCC1C(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)14-8-4-5-9(14)12(18)15-10(16)6-7-11(15)17/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOQGWYPCEZZZFMD-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.70
Rot. Bonds1

About 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione

1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione (PubChem CID 170653035) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione
PubChem CID170653035
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione
SMILESCC(C)(C)N1CCCC1C(=O)N1C(=O)C=CC1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)14-8-4-5-9(14)12(18)15-10(16)6-7-11(15)17/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOQGWYPCEZZZFMD-UHFFFAOYSA-N
XLogP0.70
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
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-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione (CID 170653035) is 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione is CC(C)(C)N1CCCC1C(=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione?
The InChIKey is OQGWYPCEZZZFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)14-8-4-5-9(14)12(18)15-10(16)6-7-11(15)17/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione?
1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione has a molecular weight of 250.30 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrrolidine-2-carbonyl)pyrrole-2,5-dione is sourced from PubChem (CID 170653035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).