4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione

C11H15N3O3 — CID 79207069

IUPAC4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H15N3O3/c1-6-10(16)13-9(15)5-14(6)11(17)7-2-3-8(12)4-7/h2-3,6-8H,4-5,12H2,1H3,(H,13,15,16)
InChIKeyUZLIQLGBODBELO-UHFFFAOYSA-N
MW237.26 g/mol
LogP-1.24
Rot. Bonds1

About 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione

4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 79207069) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID79207069
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C1C=CC(N)C1
InChIInChI=1S/C11H15N3O3/c1-6-10(16)13-9(15)5-14(6)11(17)7-2-3-8(12)4-7/h2-3,6-8H,4-5,12H2,1H3,(H,13,15,16)
InChIKeyUZLIQLGBODBELO-UHFFFAOYSA-N
XLogP-1.24
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione (CID 79207069) is 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is UZLIQLGBODBELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-6-10(16)13-9(15)5-14(6)11(17)7-2-3-8(12)4-7/h2-3,6-8H,4-5,12H2,1H3,(H,13,15,16).
What are the key properties of 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 237.26 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 79207069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).