1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione

C9H16N2O3 — CID 103482320

IUPAC1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOCCN)C1=O
InChIInChI=1S/C9H16N2O3/c1-7-6-8(12)11(9(7)13)3-5-14-4-2-10/h7H,2-6,10H2,1H3
InChIKeyREUADLXAEZYKNT-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.64
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione

1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 103482320) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID103482320
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCOCCN)C1=O
InChIInChI=1S/C9H16N2O3/c1-7-6-8(12)11(9(7)13)3-5-14-4-2-10/h7H,2-6,10H2,1H3
InChIKeyREUADLXAEZYKNT-UHFFFAOYSA-N
XLogP-0.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.64
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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Related Compounds

1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
3-methyl-1-[2-[2-[(3-methyloxiran-2-yl)methoxy]ethoxy]ethyl]pyrrolidine-2,5-dione
CID 134408422
3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
CID 163797402
3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
CID 59941556
CID 59941556
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 98280034
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
1-(aminomethyl)-3-methylpyrrolidine-2,5-dione;methane;molecular iodine
CID 157410689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione (CID 103482320) is 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCOCCN)C1=O.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is REUADLXAEZYKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7-6-8(12)11(9(7)13)3-5-14-4-2-10/h7H,2-6,10H2,1H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 200.24 g/mol, XLogP of -0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 103482320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).