3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

C13H16N4O5 — CID 121159717

IUPAC3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C13H16N4O5/c18-9-1-2-10(19)16(9)7-12(21)15-4-3-8(6-15)17-11(20)5-14-13(17)22/h8H,1-7H2,(H,14,22)
InChIKeyKHCGMLYIGFYHFL-UHFFFAOYSA-N
MW308.29 g/mol
LogP-1.71
Rot. Bonds3

About 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159717) has the molecular formula C13H16N4O5 and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159717
Molecular FormulaC13H16N4O5
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C13H16N4O5/c18-9-1-2-10(19)16(9)7-12(21)15-4-3-8(6-15)17-11(20)5-14-13(17)22/h8H,1-7H2,(H,14,22)
InChIKeyKHCGMLYIGFYHFL-UHFFFAOYSA-N
XLogP-1.71
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-(2-pyrrol-1-ylacetyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159893
3-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159907
3-[1-[2-(4-oxoquinazolin-3-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159971
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 79029328
3-[1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159768
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159876
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156485
3-[1-(3-phenylprop-2-enoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 171139182
benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 121159977
3-[1-(2-methylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160396

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159717) is 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is O=C(CN1C(=O)CCC1=O)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is KHCGMLYIGFYHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5/c18-9-1-2-10(19)16(9)7-12(21)15-4-3-8(6-15)17-11(20)5-14-13(17)22/h8H,1-7H2,(H,14,22).
What are the key properties of 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 308.29 g/mol, XLogP of -1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).