pyrrolidin-1-yldiazene

C4H9N3 — CID 18388243

IUPACpyrrolidin-1-yldiazene
SMILES[H]/N=N/N1CCCC1
InChIInChI=1S/C4H9N3/c5-6-7-3-1-2-4-7/h5H,1-4H2/b6-5+
InChIKeyJISXXAUWJPDUKB-AATRIKPKSA-N
MW99.14 g/mol
LogP1.03
Rot. Bonds1

About pyrrolidin-1-yldiazene

pyrrolidin-1-yldiazene (PubChem CID 18388243) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is pyrrolidin-1-yldiazene.

Molecular Properties

Compound Namepyrrolidin-1-yldiazene
PubChem CID18388243
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Namepyrrolidin-1-yldiazene
SMILES[H]/N=N/N1CCCC1
InChIInChI=1S/C4H9N3/c5-6-7-3-1-2-4-7/h5H,1-4H2/b6-5+
InChIKeyJISXXAUWJPDUKB-AATRIKPKSA-N
XLogP1.03
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yldiazene?
The IUPAC name of pyrrolidin-1-yldiazene (CID 18388243) is pyrrolidin-1-yldiazene.
What is the SMILES notation for pyrrolidin-1-yldiazene?
The canonical SMILES for pyrrolidin-1-yldiazene is [H]/N=N/N1CCCC1.
What is the InChIKey of pyrrolidin-1-yldiazene?
The InChIKey is JISXXAUWJPDUKB-AATRIKPKSA-N. The full InChI is InChI=1S/C4H9N3/c5-6-7-3-1-2-4-7/h5H,1-4H2/b6-5+.
What are the key properties of pyrrolidin-1-yldiazene?
pyrrolidin-1-yldiazene has a molecular weight of 99.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yldiazene is sourced from PubChem (CID 18388243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).