3-pyrrolidin-1-ylpropanehydrazide

C7H15N3O — CID 3686649

IUPAC3-pyrrolidin-1-ylpropanehydrazide
SMILESNNC(=O)CCN1CCCC1
InChIInChI=1S/C7H15N3O/c8-9-7(11)3-6-10-4-1-2-5-10/h1-6,8H2,(H,9,11)
InChIKeyLLKCXARUQTWKAJ-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.54
Rot. Bonds3

About 3-pyrrolidin-1-ylpropanehydrazide

3-pyrrolidin-1-ylpropanehydrazide (PubChem CID 3686649) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylpropanehydrazide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylpropanehydrazide
PubChem CID3686649
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-pyrrolidin-1-ylpropanehydrazide
SMILESNNC(=O)CCN1CCCC1
InChIInChI=1S/C7H15N3O/c8-9-7(11)3-6-10-4-1-2-5-10/h1-6,8H2,(H,9,11)
InChIKeyLLKCXARUQTWKAJ-UHFFFAOYSA-N
XLogP-0.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-pyrrolidin-1-ylpropanehydrazide?
The IUPAC name of 3-pyrrolidin-1-ylpropanehydrazide (CID 3686649) is 3-pyrrolidin-1-ylpropanehydrazide.
What is the SMILES notation for 3-pyrrolidin-1-ylpropanehydrazide?
The canonical SMILES for 3-pyrrolidin-1-ylpropanehydrazide is NNC(=O)CCN1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylpropanehydrazide?
The InChIKey is LLKCXARUQTWKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-9-7(11)3-6-10-4-1-2-5-10/h1-6,8H2,(H,9,11).
What are the key properties of 3-pyrrolidin-1-ylpropanehydrazide?
3-pyrrolidin-1-ylpropanehydrazide has a molecular weight of 157.22 g/mol, XLogP of -0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylpropanehydrazide is sourced from PubChem (CID 3686649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).