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

C10H14N2O2 — CID 104787923

IUPAC3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCC1C(=O)NCCN1C1=CC(=O)CC1
InChIInChI=1S/C10H14N2O2/c1-7-10(14)11-4-5-12(7)8-2-3-9(13)6-8/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyCJLGAFFCWTXVGJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.05
Rot. Bonds1

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

3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (PubChem CID 104787923) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
PubChem CID104787923
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESCC1C(=O)NCCN1C1=CC(=O)CC1
InChIInChI=1S/C10H14N2O2/c1-7-10(14)11-4-5-12(7)8-2-3-9(13)6-8/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyCJLGAFFCWTXVGJ-UHFFFAOYSA-N
XLogP0.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one (CID 104787923) is 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is CC1C(=O)NCCN1C1=CC(=O)CC1.
What is the InChIKey of 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The InChIKey is CJLGAFFCWTXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-10(14)11-4-5-12(7)8-2-3-9(13)6-8/h6-7H,2-5H2,1H3,(H,11,14).
What are the key properties of 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one?
3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one has a molecular weight of 194.23 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-oxocyclopenten-1-yl)piperazin-2-one is sourced from PubChem (CID 104787923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).