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

C9H12N2O2 — CID 104787669

IUPAC4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESO=C1C=C(N2CCNC(=O)C2)CC1
InChIInChI=1S/C9H12N2O2/c12-8-2-1-7(5-8)11-4-3-10-9(13)6-11/h5H,1-4,6H2,(H,10,13)
InChIKeyNTQFKUWVASJUTR-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.34
Rot. Bonds1

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

4-(3-oxocyclopenten-1-yl)piperazin-2-one (PubChem CID 104787669) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(3-oxocyclopenten-1-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-oxocyclopenten-1-yl)piperazin-2-one
PubChem CID104787669
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-(3-oxocyclopenten-1-yl)piperazin-2-one
SMILESO=C1C=C(N2CCNC(=O)C2)CC1
InChIInChI=1S/C9H12N2O2/c12-8-2-1-7(5-8)11-4-3-10-9(13)6-11/h5H,1-4,6H2,(H,10,13)
InChIKeyNTQFKUWVASJUTR-UHFFFAOYSA-N
XLogP-0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The IUPAC name of 4-(3-oxocyclopenten-1-yl)piperazin-2-one (CID 104787669) is 4-(3-oxocyclopenten-1-yl)piperazin-2-one.
What is the SMILES notation for 4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The canonical SMILES for 4-(3-oxocyclopenten-1-yl)piperazin-2-one is O=C1C=C(N2CCNC(=O)C2)CC1.
What is the InChIKey of 4-(3-oxocyclopenten-1-yl)piperazin-2-one?
The InChIKey is NTQFKUWVASJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c12-8-2-1-7(5-8)11-4-3-10-9(13)6-11/h5H,1-4,6H2,(H,10,13).
What are the key properties of 4-(3-oxocyclopenten-1-yl)piperazin-2-one?
4-(3-oxocyclopenten-1-yl)piperazin-2-one has a molecular weight of 180.21 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxocyclopenten-1-yl)piperazin-2-one is sourced from PubChem (CID 104787669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).