1-[(E)-but-2-en-2-yl]-1-methylhydrazine

C5H12N2 — CID 134456994

IUPAC1-[(E)-but-2-en-2-yl]-1-methylhydrazine
SMILESC/C=C(\C)N(C)N
InChIInChI=1S/C5H12N2/c1-4-5(2)7(3)6/h4H,6H2,1-3H3/b5-4+
InChIKeyLOLICXJFPRQOBY-SNAWJCMRSA-N
MW100.16 g/mol
LogP0.72
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-1-methylhydrazine

1-[(E)-but-2-en-2-yl]-1-methylhydrazine (PubChem CID 134456994) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-1-methylhydrazine
PubChem CID134456994
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name1-[(E)-but-2-en-2-yl]-1-methylhydrazine
SMILESC/C=C(\C)N(C)N
InChIInChI=1S/C5H12N2/c1-4-5(2)7(3)6/h4H,6H2,1-3H3/b5-4+
InChIKeyLOLICXJFPRQOBY-SNAWJCMRSA-N
XLogP0.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-1-methylhydrazine?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-1-methylhydrazine (CID 134456994) is 1-[(E)-but-2-en-2-yl]-1-methylhydrazine.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-1-methylhydrazine?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-1-methylhydrazine is C/C=C(\C)N(C)N.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-1-methylhydrazine?
The InChIKey is LOLICXJFPRQOBY-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-5(2)7(3)6/h4H,6H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-1-methylhydrazine?
1-[(E)-but-2-en-2-yl]-1-methylhydrazine has a molecular weight of 100.16 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-1-methylhydrazine is sourced from PubChem (CID 134456994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).