1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione

C8H12N2O3 — CID 89079228

IUPAC1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
SMILESCNCC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O3/c1-9-4-6(11)5-10-7(12)2-3-8(10)13/h9H,2-5H2,1H3
InChIKeyBANTXJXECYQADO-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.08
Rot. Bonds4

About 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione

1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione (PubChem CID 89079228) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
PubChem CID89079228
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione
SMILESCNCC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O3/c1-9-4-6(11)5-10-7(12)2-3-8(10)13/h9H,2-5H2,1H3
InChIKeyBANTXJXECYQADO-UHFFFAOYSA-N
XLogP-1.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.08
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-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione (CID 89079228) is 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione is CNCC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
The InChIKey is BANTXJXECYQADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-9-4-6(11)5-10-7(12)2-3-8(10)13/h9H,2-5H2,1H3.
What are the key properties of 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione?
1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione has a molecular weight of 184.19 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-2-oxopropyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 89079228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).