5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide

C12H20N4O4 — CID 66076177

IUPAC5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC1(C)C(=O)NC(=O)CN1CC1CCC(C(=O)NN)O1
InChIInChI=1S/C12H20N4O4/c1-12(2)11(19)14-9(17)6-16(12)5-7-3-4-8(20-7)10(18)15-13/h7-8H,3-6,13H2,1-2H3,(H,15,18)(H,14,17,19)
InChIKeyXWXVGXZLWVKJPW-UHFFFAOYSA-N
MW284.32 g/mol
LogP-1.74
Rot. Bonds3

About 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide

5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide (PubChem CID 66076177) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
PubChem CID66076177
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide
SMILESCC1(C)C(=O)NC(=O)CN1CC1CCC(C(=O)NN)O1
InChIInChI=1S/C12H20N4O4/c1-12(2)11(19)14-9(17)6-16(12)5-7-3-4-8(20-7)10(18)15-13/h7-8H,3-6,13H2,1-2H3,(H,15,18)(H,14,17,19)
InChIKeyXWXVGXZLWVKJPW-UHFFFAOYSA-N
XLogP-1.74
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide?
The IUPAC name of 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide (CID 66076177) is 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide.
What is the SMILES notation for 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide?
The canonical SMILES for 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide is CC1(C)C(=O)NC(=O)CN1CC1CCC(C(=O)NN)O1.
What is the InChIKey of 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide?
The InChIKey is XWXVGXZLWVKJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-12(2)11(19)14-9(17)6-16(12)5-7-3-4-8(20-7)10(18)15-13/h7-8H,3-6,13H2,1-2H3,(H,15,18)(H,14,17,19).
What are the key properties of 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide?
5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide has a molecular weight of 284.32 g/mol, XLogP of -1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 66076177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).