1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione

C10H18N2O2 — CID 115306372

IUPAC1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione
SMILESCCC(N)(CC)CN1C(=O)CCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-10(11,4-2)7-12-8(13)5-6-9(12)14/h3-7,11H2,1-2H3
InChIKeyLBPQQKXSNXOHMO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.65
Rot. Bonds4

About 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione

1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione (PubChem CID 115306372) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione
PubChem CID115306372
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione
SMILESCCC(N)(CC)CN1C(=O)CCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-10(11,4-2)7-12-8(13)5-6-9(12)14/h3-7,11H2,1-2H3
InChIKeyLBPQQKXSNXOHMO-UHFFFAOYSA-N
XLogP0.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.65
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 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione (CID 115306372) is 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione is CCC(N)(CC)CN1C(=O)CCC1=O.
What is the InChIKey of 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione?
The InChIKey is LBPQQKXSNXOHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-10(11,4-2)7-12-8(13)5-6-9(12)14/h3-7,11H2,1-2H3.
What are the key properties of 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione?
1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-ethylbutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 115306372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).