1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione

C11H20N2O3 — CID 82942268

IUPAC1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
SMILESCCCOCCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-6-16-7-4-5-12-9-8-10(14)13(2)11(9)15/h9,12H,3-8H2,1-2H3
InChIKeyGXASFQCDBLPUTH-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds7

About 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione

1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione (PubChem CID 82942268) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
PubChem CID82942268
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione
SMILESCCCOCCCNC1CC(=O)N(C)C1=O
InChIInChI=1S/C11H20N2O3/c1-3-6-16-7-4-5-12-9-8-10(14)13(2)11(9)15/h9,12H,3-8H2,1-2H3
InChIKeyGXASFQCDBLPUTH-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione (CID 82942268) is 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione is CCCOCCCNC1CC(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione?
The InChIKey is GXASFQCDBLPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-16-7-4-5-12-9-8-10(14)13(2)11(9)15/h9,12H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione?
1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-propoxypropylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 82942268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).