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

C10H14N2O2 — CID 104787960

IUPAC1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCN1CCN(C2=CC(=O)CC2)CC1=O
InChIInChI=1S/C10H14N2O2/c1-11-4-5-12(7-10(11)14)8-2-3-9(13)6-8/h6H,2-5,7H2,1H3
InChIKeyCUQGARVEPUXYIX-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.01
Rot. Bonds1

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

1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (PubChem CID 104787960) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
PubChem CID104787960
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCN1CCN(C2=CC(=O)CC2)CC1=O
InChIInChI=1S/C10H14N2O2/c1-11-4-5-12(7-10(11)14)8-2-3-9(13)6-8/h6H,2-5,7H2,1H3
InChIKeyCUQGARVEPUXYIX-UHFFFAOYSA-N
XLogP0.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (CID 104787960) is 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is CN1CCN(C2=CC(=O)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The InChIKey is CUQGARVEPUXYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-11-4-5-12(7-10(11)14)8-2-3-9(13)6-8/h6H,2-5,7H2,1H3.
What are the key properties of 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is sourced from PubChem (CID 104787960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).