5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide

C11H19N3O3 — CID 65301201

IUPAC5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
SMILESCC1(C)CC(=O)N(CCCCC(=O)NN)C1=O
InChIInChI=1S/C11H19N3O3/c1-11(2)7-9(16)14(10(11)17)6-4-3-5-8(15)13-12/h3-7,12H2,1-2H3,(H,13,15)
InChIKeyXCMXPNKNCXFENG-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.07
Rot. Bonds5

About 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide

5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide (PubChem CID 65301201) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
PubChem CID65301201
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
SMILESCC1(C)CC(=O)N(CCCCC(=O)NN)C1=O
InChIInChI=1S/C11H19N3O3/c1-11(2)7-9(16)14(10(11)17)6-4-3-5-8(15)13-12/h3-7,12H2,1-2H3,(H,13,15)
InChIKeyXCMXPNKNCXFENG-UHFFFAOYSA-N
XLogP-0.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide (CID 65301201) is 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide is CC1(C)CC(=O)N(CCCCC(=O)NN)C1=O.
What is the InChIKey of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
The InChIKey is XCMXPNKNCXFENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2)7-9(16)14(10(11)17)6-4-3-5-8(15)13-12/h3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide has a molecular weight of 241.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide is sourced from PubChem (CID 65301201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).