(2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate

C10H10N4O4 — CID 18517146

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate
SMILESNNc1ncccc1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H10N4O4/c11-13-9-6(2-1-5-12-9)10(17)18-14-7(15)3-4-8(14)16/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyMHBCAXJUTKVVOW-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.41
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate (PubChem CID 18517146) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate
PubChem CID18517146
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate
SMILESNNc1ncccc1C(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H10N4O4/c11-13-9-6(2-1-5-12-9)10(17)18-14-7(15)3-4-8(14)16/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyMHBCAXJUTKVVOW-UHFFFAOYSA-N
XLogP-0.41
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate (CID 18517146) is (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate is NNc1ncccc1C(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate?
The InChIKey is MHBCAXJUTKVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c11-13-9-6(2-1-5-12-9)10(17)18-14-7(15)3-4-8(14)16/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate has a molecular weight of 250.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-hydrazinylpyridine-3-carboxylate is sourced from PubChem (CID 18517146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).