2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide

C10H18N4O3 — CID 79941768

IUPAC2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide
SMILESCN1CC(=O)N(CC(C)(C)C(=O)NN)CC1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,9(17)12-11)6-14-5-7(15)13(3)4-8(14)16/h4-6,11H2,1-3H3,(H,12,17)
InChIKeyKHNXPCVLNYQDKF-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.70
Rot. Bonds3

About 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide

2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide (PubChem CID 79941768) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide
PubChem CID79941768
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide
SMILESCN1CC(=O)N(CC(C)(C)C(=O)NN)CC1=O
InChIInChI=1S/C10H18N4O3/c1-10(2,9(17)12-11)6-14-5-7(15)13(3)4-8(14)16/h4-6,11H2,1-3H3,(H,12,17)
InChIKeyKHNXPCVLNYQDKF-UHFFFAOYSA-N
XLogP-1.70
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide (CID 79941768) is 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide is CN1CC(=O)N(CC(C)(C)C(=O)NN)CC1=O.
What is the InChIKey of 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide?
The InChIKey is KHNXPCVLNYQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-10(2,9(17)12-11)6-14-5-7(15)13(3)4-8(14)16/h4-6,11H2,1-3H3,(H,12,17).
What are the key properties of 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide?
2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide has a molecular weight of 242.28 g/mol, XLogP of -1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methyl-2,5-dioxopiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 79941768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).