but-3-enylhydrazine;dihydrochloride

C4H12Cl2N2 — CID 155978401

IUPACbut-3-enylhydrazine;dihydrochloride
SMILESC=CCCNN.Cl.Cl
InChIInChI=1S/C4H10N2.2ClH/c1-2-3-4-6-5;;/h2,6H,1,3-5H2;2*1H
InChIKeyFGNQRHQNHUQLDH-UHFFFAOYSA-N
MW159.06 g/mol
LogP0.87
Rot. Bonds3

About but-3-enylhydrazine;dihydrochloride

but-3-enylhydrazine;dihydrochloride (PubChem CID 155978401) has the molecular formula C4H12Cl2N2 and a molecular weight of 159.06 g/mol. Its IUPAC name is but-3-enylhydrazine;dihydrochloride.

Molecular Properties

Compound Namebut-3-enylhydrazine;dihydrochloride
PubChem CID155978401
Molecular FormulaC4H12Cl2N2
Molecular Weight159.06 g/mol
Exact Mass158.04
IUPAC Namebut-3-enylhydrazine;dihydrochloride
SMILESC=CCCNN.Cl.Cl
InChIInChI=1S/C4H10N2.2ClH/c1-2-3-4-6-5;;/h2,6H,1,3-5H2;2*1H
InChIKeyFGNQRHQNHUQLDH-UHFFFAOYSA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 but-3-enylhydrazine;dihydrochloride?
The IUPAC name of but-3-enylhydrazine;dihydrochloride (CID 155978401) is but-3-enylhydrazine;dihydrochloride.
What is the SMILES notation for but-3-enylhydrazine;dihydrochloride?
The canonical SMILES for but-3-enylhydrazine;dihydrochloride is C=CCCNN.Cl.Cl.
What is the InChIKey of but-3-enylhydrazine;dihydrochloride?
The InChIKey is FGNQRHQNHUQLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.2ClH/c1-2-3-4-6-5;;/h2,6H,1,3-5H2;2*1H.
What are the key properties of but-3-enylhydrazine;dihydrochloride?
but-3-enylhydrazine;dihydrochloride has a molecular weight of 159.06 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enylhydrazine;dihydrochloride is sourced from PubChem (CID 155978401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).