1-(2-oxopropyl)piperidine-2,5-dione

C8H11NO3 — CID 22943062

IUPAC1-(2-oxopropyl)piperidine-2,5-dione
SMILESCC(=O)CN1CC(=O)CCC1=O
InChIInChI=1S/C8H11NO3/c1-6(10)4-9-5-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKeyKISHAFTZOFYUDW-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.23
Rot. Bonds2

About 1-(2-oxopropyl)piperidine-2,5-dione

1-(2-oxopropyl)piperidine-2,5-dione (PubChem CID 22943062) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-(2-oxopropyl)piperidine-2,5-dione.

Molecular Properties

Compound Name1-(2-oxopropyl)piperidine-2,5-dione
PubChem CID22943062
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name1-(2-oxopropyl)piperidine-2,5-dione
SMILESCC(=O)CN1CC(=O)CCC1=O
InChIInChI=1S/C8H11NO3/c1-6(10)4-9-5-7(11)2-3-8(9)12/h2-5H2,1H3
InChIKeyKISHAFTZOFYUDW-UHFFFAOYSA-N
XLogP-0.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropyl)piperidine-2,5-dione?
The IUPAC name of 1-(2-oxopropyl)piperidine-2,5-dione (CID 22943062) is 1-(2-oxopropyl)piperidine-2,5-dione.
What is the SMILES notation for 1-(2-oxopropyl)piperidine-2,5-dione?
The canonical SMILES for 1-(2-oxopropyl)piperidine-2,5-dione is CC(=O)CN1CC(=O)CCC1=O.
What is the InChIKey of 1-(2-oxopropyl)piperidine-2,5-dione?
The InChIKey is KISHAFTZOFYUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)4-9-5-7(11)2-3-8(9)12/h2-5H2,1H3.
What are the key properties of 1-(2-oxopropyl)piperidine-2,5-dione?
1-(2-oxopropyl)piperidine-2,5-dione has a molecular weight of 169.18 g/mol, XLogP of -0.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)piperidine-2,5-dione is sourced from PubChem (CID 22943062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).