1-but-3-en-2-yl-2-methylhydrazine

C5H12N2 — CID 146821604

IUPAC1-but-3-en-2-yl-2-methylhydrazine
SMILESC=CC(C)NNC
InChIInChI=1S/C5H12N2/c1-4-5(2)7-6-3/h4-7H,1H2,2-3H3
InChIKeySCDKYFCNHHGXFB-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.28
Rot. Bonds3

About 1-but-3-en-2-yl-2-methylhydrazine

1-but-3-en-2-yl-2-methylhydrazine (PubChem CID 146821604) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is 1-but-3-en-2-yl-2-methylhydrazine.

Molecular Properties

Compound Name1-but-3-en-2-yl-2-methylhydrazine
PubChem CID146821604
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC Name1-but-3-en-2-yl-2-methylhydrazine
SMILESC=CC(C)NNC
InChIInChI=1S/C5H12N2/c1-4-5(2)7-6-3/h4-7H,1H2,2-3H3
InChIKeySCDKYFCNHHGXFB-UHFFFAOYSA-N
XLogP0.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-but-3-en-2-yl-2-methylhydrazine?
The IUPAC name of 1-but-3-en-2-yl-2-methylhydrazine (CID 146821604) is 1-but-3-en-2-yl-2-methylhydrazine.
What is the SMILES notation for 1-but-3-en-2-yl-2-methylhydrazine?
The canonical SMILES for 1-but-3-en-2-yl-2-methylhydrazine is C=CC(C)NNC.
What is the InChIKey of 1-but-3-en-2-yl-2-methylhydrazine?
The InChIKey is SCDKYFCNHHGXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-4-5(2)7-6-3/h4-7H,1H2,2-3H3.
What are the key properties of 1-but-3-en-2-yl-2-methylhydrazine?
1-but-3-en-2-yl-2-methylhydrazine has a molecular weight of 100.16 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-2-methylhydrazine is sourced from PubChem (CID 146821604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).