3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one

C11H16N2O2 — CID 104787922

IUPAC3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C1=CC(=O)CC1
InChIInChI=1S/C11H16N2O2/c1-11(2)10(15)12-5-6-13(11)8-3-4-9(14)7-8/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyGVKZNSSWWYYTTL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.44
Rot. Bonds1

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

3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (PubChem CID 104787922) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
PubChem CID104787922
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCC1(C)C(=O)NCCN1C1=CC(=O)CC1
InChIInChI=1S/C11H16N2O2/c1-11(2)10(15)12-5-6-13(11)8-3-4-9(14)7-8/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyGVKZNSSWWYYTTL-UHFFFAOYSA-N
XLogP0.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (CID 104787922) is 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is CC1(C)C(=O)NCCN1C1=CC(=O)CC1.
What is the InChIKey of 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The InChIKey is GVKZNSSWWYYTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2)10(15)12-5-6-13(11)8-3-4-9(14)7-8/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is sourced from PubChem (CID 104787922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).