1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione

C14H20N2O4 — CID 19796153

IUPAC1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione
SMILESO=C1CCC(C(=O)CCCCC(=O)C2CCC(=O)N2)N1
InChIInChI=1S/C14H20N2O4/c17-11(9-5-7-13(19)15-9)3-1-2-4-12(18)10-6-8-14(20)16-10/h9-10H,1-8H2,(H,15,19)(H,16,20)
InChIKeyNKGLOEDRTHBBAP-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.24
Rot. Bonds7

About 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione

1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione (PubChem CID 19796153) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione.

Molecular Properties

Compound Name1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione
PubChem CID19796153
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione
SMILESO=C1CCC(C(=O)CCCCC(=O)C2CCC(=O)N2)N1
InChIInChI=1S/C14H20N2O4/c17-11(9-5-7-13(19)15-9)3-1-2-4-12(18)10-6-8-14(20)16-10/h9-10H,1-8H2,(H,15,19)(H,16,20)
InChIKeyNKGLOEDRTHBBAP-UHFFFAOYSA-N
XLogP0.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione?
The IUPAC name of 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione (CID 19796153) is 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione.
What is the SMILES notation for 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione?
The canonical SMILES for 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione is O=C1CCC(C(=O)CCCCC(=O)C2CCC(=O)N2)N1.
What is the InChIKey of 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione?
The InChIKey is NKGLOEDRTHBBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-11(9-5-7-13(19)15-9)3-1-2-4-12(18)10-6-8-14(20)16-10/h9-10H,1-8H2,(H,15,19)(H,16,20).
What are the key properties of 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione?
1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione has a molecular weight of 280.32 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione is sourced from PubChem (CID 19796153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).