4-nitrosobutylhydrazine

C4H11N3O — CID 90208795

IUPAC4-nitrosobutylhydrazine
SMILESNNCCCCN=O
InChIInChI=1S/C4H11N3O/c5-6-3-1-2-4-7-8/h6H,1-5H2
InChIKeyMNQRNCLSGXYGMB-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.00
Rot. Bonds5

About 4-nitrosobutylhydrazine

4-nitrosobutylhydrazine (PubChem CID 90208795) has the molecular formula C4H11N3O and a molecular weight of 117.15 g/mol. Its IUPAC name is 4-nitrosobutylhydrazine.

Molecular Properties

Compound Name4-nitrosobutylhydrazine
PubChem CID90208795
Molecular FormulaC4H11N3O
Molecular Weight117.15 g/mol
Exact Mass117.09
IUPAC Name4-nitrosobutylhydrazine
SMILESNNCCCCN=O
InChIInChI=1S/C4H11N3O/c5-6-3-1-2-4-7-8/h6H,1-5H2
InChIKeyMNQRNCLSGXYGMB-UHFFFAOYSA-N
XLogP-0.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 4-nitrosobutylhydrazine?
The IUPAC name of 4-nitrosobutylhydrazine (CID 90208795) is 4-nitrosobutylhydrazine.
What is the SMILES notation for 4-nitrosobutylhydrazine?
The canonical SMILES for 4-nitrosobutylhydrazine is NNCCCCN=O.
What is the InChIKey of 4-nitrosobutylhydrazine?
The InChIKey is MNQRNCLSGXYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O/c5-6-3-1-2-4-7-8/h6H,1-5H2.
What are the key properties of 4-nitrosobutylhydrazine?
4-nitrosobutylhydrazine has a molecular weight of 117.15 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrosobutylhydrazine is sourced from PubChem (CID 90208795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).