1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione

C12H16N2O5 — CID 13175549

IUPAC1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCOCCN1C(=O)CCC1=O
InChIInChI=1S/C12H16N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-8H2
InChIKeyNNIHQSKKONNYIS-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.70
Rot. Bonds6

About 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione

1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione (PubChem CID 13175549) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione
PubChem CID13175549
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCOCCN1C(=O)CCC1=O
InChIInChI=1S/C12H16N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-8H2
InChIKeyNNIHQSKKONNYIS-UHFFFAOYSA-N
XLogP-0.70
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1,4-Bis-(2-oxo-pyrrolidin-1-yl)-butane-1,4-dione
CID 652005
2-Pyrrolidinone, 1-((2-(1-pyrrolidinyl)ethoxy)methyl)-
CID 202081
1,1'-(Oxydimethanediyl)dipyrrolidine-2,5-Dione
CID 4032114
1,1'-(Butane-1,4-diyl)bis(pyrrolidine-2,5-dione)
CID 10060753
1-[1,2-Dimethoxy-2-(2-oxopyrrolidin-1-yl)ethyl]pyrrolidin-2-one
CID 23767933
1-[3-(Morpholin-4-yl)propyl]pyrrolidine-2,5-dione
CID 339378
(3S)-1-[2-[2-[2-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]ethoxy]ethoxy]ethyl]-3-sulfanylpyrrolidine-2,5-dione
CID 86287509
Boric acid;1-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one
CID 139204150
Trimethyl-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethyl]azanium
CID 20001
3-[3-Succinimidopropyl]-2-oxazolidinone
CID 544799
1-[2-[2-[2-(2-Oxopyrrolidin-1-yl)propoxy]ethoxy]ethyl]pyrrolidin-2-one
CID 15228854
1-[2-[2-(2-Oxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidin-2-one
CID 17868306

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione (CID 13175549) is 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCOCCN1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione?
The InChIKey is NNIHQSKKONNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c15-9-1-2-10(16)13(9)5-7-19-8-6-14-11(17)3-4-12(14)18/h1-8H2.
What are the key properties of 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione?
1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione has a molecular weight of 268.27 g/mol, XLogP of -0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 13175549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).