1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione

C12H16N2O4 — CID 652005

IUPAC1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione
SMILESO=C1CCCN1C(=O)CCC(=O)N1CCCC1=O
InChIInChI=1S/C12H16N2O4/c15-9-3-1-7-13(9)11(17)5-6-12(18)14-8-2-4-10(14)16/h1-8H2
InChIKeyXBRFRWMADOCHBV-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.06
Rot. Bonds3

About 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione

1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione (PubChem CID 652005) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione.

Molecular Properties

Compound Name1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione
PubChem CID652005
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione
SMILESO=C1CCCN1C(=O)CCC(=O)N1CCCC1=O
InChIInChI=1S/C12H16N2O4/c15-9-3-1-7-13(9)11(17)5-6-12(18)14-8-2-4-10(14)16/h1-8H2
InChIKeyXBRFRWMADOCHBV-UHFFFAOYSA-N
XLogP0.06
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione?
The IUPAC name of 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione (CID 652005) is 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione.
What is the SMILES notation for 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione?
The canonical SMILES for 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione is O=C1CCCN1C(=O)CCC(=O)N1CCCC1=O.
What is the InChIKey of 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione?
The InChIKey is XBRFRWMADOCHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-9-3-1-7-13(9)11(17)5-6-12(18)14-8-2-4-10(14)16/h1-8H2.
What are the key properties of 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione?
1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione has a molecular weight of 252.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2-oxopyrrolidin-1-yl)butane-1,4-dione is sourced from PubChem (CID 652005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).