4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one

C13H20N2O2 — CID 63362379

IUPAC4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C13H20N2O2/c1-13(2)12(17)14-7-8-15(13)11(16)9-10-5-3-4-6-10/h3,5,10H,4,6-9H2,1-2H3,(H,14,17)
InChIKeyREIGWFMCXKWEMM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.08
Rot. Bonds2

About 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one

4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63362379) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
PubChem CID63362379
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)CC1C=CCC1
InChIInChI=1S/C13H20N2O2/c1-13(2)12(17)14-7-8-15(13)11(16)9-10-5-3-4-6-10/h3,5,10H,4,6-9H2,1-2H3,(H,14,17)
InChIKeyREIGWFMCXKWEMM-UHFFFAOYSA-N
XLogP1.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one (CID 63362379) is 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)CC1C=CCC1.
What is the InChIKey of 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is REIGWFMCXKWEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2)12(17)14-7-8-15(13)11(16)9-10-5-3-4-6-10/h3,5,10H,4,6-9H2,1-2H3,(H,14,17).
What are the key properties of 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one?
4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopent-2-en-1-ylacetyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63362379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).