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

C10H17N3O3 — CID 63578183

IUPAC5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
SMILESCC1CC(=O)N(CCCCC(=O)NN)C1=O
InChIInChI=1S/C10H17N3O3/c1-7-6-9(15)13(10(7)16)5-3-2-4-8(14)12-11/h7H,2-6,11H2,1H3,(H,12,14)
InChIKeyBGXNEALKEWEHCJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.46
Rot. Bonds5

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

5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide (PubChem CID 63578183) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide.

Molecular Properties

Compound Name5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
PubChem CID63578183
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
SMILESCC1CC(=O)N(CCCCC(=O)NN)C1=O
InChIInChI=1S/C10H17N3O3/c1-7-6-9(15)13(10(7)16)5-3-2-4-8(14)12-11/h7H,2-6,11H2,1H3,(H,12,14)
InChIKeyBGXNEALKEWEHCJ-UHFFFAOYSA-N
XLogP-0.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.46
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-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
The IUPAC name of 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide (CID 63578183) is 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide.
What is the SMILES notation for 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
The canonical SMILES for 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide is CC1CC(=O)N(CCCCC(=O)NN)C1=O.
What is the InChIKey of 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
The InChIKey is BGXNEALKEWEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-6-9(15)13(10(7)16)5-3-2-4-8(14)12-11/h7H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide?
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide has a molecular weight of 227.26 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide is sourced from PubChem (CID 63578183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).