1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine

C6H12N2 — CID 88882413

IUPAC1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine
SMILESC=C/C=C\N(N)CC
InChIInChI=1S/C6H12N2/c1-3-5-6-8(7)4-2/h3,5-6H,1,4,7H2,2H3/b6-5-
InChIKeyOJVKCRDIWRLJRV-WAYWQWQTSA-N
MW112.18 g/mol
LogP0.88
Rot. Bonds3

About 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine

1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine (PubChem CID 88882413) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine
PubChem CID88882413
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine
SMILESC=C/C=C\N(N)CC
InChIInChI=1S/C6H12N2/c1-3-5-6-8(7)4-2/h3,5-6H,1,4,7H2,2H3/b6-5-
InChIKeyOJVKCRDIWRLJRV-WAYWQWQTSA-N
XLogP0.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine (CID 88882413) is 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine is C=C/C=C\N(N)CC.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine?
The InChIKey is OJVKCRDIWRLJRV-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12N2/c1-3-5-6-8(7)4-2/h3,5-6H,1,4,7H2,2H3/b6-5-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine?
1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine has a molecular weight of 112.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-1-ethylhydrazine is sourced from PubChem (CID 88882413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).