2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide

C11H16N4O2 — CID 90001947

IUPAC2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide
SMILESNNC(=O)COc1cccnc1N1CCCC1
InChIInChI=1S/C11H16N4O2/c12-14-10(16)8-17-9-4-3-5-13-11(9)15-6-1-2-7-15/h3-5H,1-2,6-8,12H2,(H,14,16)
InChIKeyWDGDFEOTIXZHMG-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.05
Rot. Bonds4

About 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide

2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide (PubChem CID 90001947) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide.

Molecular Properties

Compound Name2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide
PubChem CID90001947
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide
SMILESNNC(=O)COc1cccnc1N1CCCC1
InChIInChI=1S/C11H16N4O2/c12-14-10(16)8-17-9-4-3-5-13-11(9)15-6-1-2-7-15/h3-5H,1-2,6-8,12H2,(H,14,16)
InChIKeyWDGDFEOTIXZHMG-UHFFFAOYSA-N
XLogP0.05
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide?
The IUPAC name of 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide (CID 90001947) is 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide.
What is the SMILES notation for 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide?
The canonical SMILES for 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide is NNC(=O)COc1cccnc1N1CCCC1.
What is the InChIKey of 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide?
The InChIKey is WDGDFEOTIXZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-14-10(16)8-17-9-4-3-5-13-11(9)15-6-1-2-7-15/h3-5H,1-2,6-8,12H2,(H,14,16).
What are the key properties of 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide?
2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]acetohydrazide is sourced from PubChem (CID 90001947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).