3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one

C11H16N2O2 — CID 104787924

IUPAC3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C1=CC(=O)CC1
InChIInChI=1S/C11H16N2O2/c1-2-10-11(15)12-5-6-13(10)8-3-4-9(14)7-8/h7,10H,2-6H2,1H3,(H,12,15)
InChIKeyPZVPNWXXDRITRZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.44
Rot. Bonds2

About 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one

3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (PubChem CID 104787924) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
PubChem CID104787924
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCCC1C(=O)NCCN1C1=CC(=O)CC1
InChIInChI=1S/C11H16N2O2/c1-2-10-11(15)12-5-6-13(10)8-3-4-9(14)7-8/h7,10H,2-6H2,1H3,(H,12,15)
InChIKeyPZVPNWXXDRITRZ-UHFFFAOYSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (CID 104787924) is 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is CCC1C(=O)NCCN1C1=CC(=O)CC1.
What is the InChIKey of 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The InChIKey is PZVPNWXXDRITRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-10-11(15)12-5-6-13(10)8-3-4-9(14)7-8/h7,10H,2-6H2,1H3,(H,12,15).
What are the key properties of 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is sourced from PubChem (CID 104787924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).