1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione

C11H20N2O2 — CID 58421740

IUPAC1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)12-7-4-8-13-9(14)5-6-10(13)15/h12H,4-8H2,1-3H3
InChIKeyWPBKSJFJNFOFCN-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.91
Rot. Bonds4

About 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione

1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione (PubChem CID 58421740) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione
PubChem CID58421740
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)NCCCN1C(=O)CCC1=O
InChIInChI=1S/C11H20N2O2/c1-11(2,3)12-7-4-8-13-9(14)5-6-10(13)15/h12H,4-8H2,1-3H3
InChIKeyWPBKSJFJNFOFCN-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione (CID 58421740) is 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione is CC(C)(C)NCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione?
The InChIKey is WPBKSJFJNFOFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,3)12-7-4-8-13-9(14)5-6-10(13)15/h12H,4-8H2,1-3H3.
What are the key properties of 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione?
1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 58421740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).