2-methanidylbut-2-ene;zinc

C5H9Zn- — CID 173022974

IUPAC2-methanidylbut-2-ene;zinc
SMILES[CH2-]C(C)=CC.[Zn]
InChIInChI=1S/C5H9.Zn/c1-4-5(2)3;/h4H,2H2,1,3H3;/q-1;
InChIKeyQBZKJTFNRITDCJ-UHFFFAOYSA-N
MW134.52 g/mol
LogP1.78
Rot. Bonds

About 2-methanidylbut-2-ene;zinc

2-methanidylbut-2-ene;zinc (PubChem CID 173022974) has the molecular formula C5H9Zn- and a molecular weight of 134.52 g/mol. Its IUPAC name is 2-methanidylbut-2-ene;zinc.

Molecular Properties

Compound Name2-methanidylbut-2-ene;zinc
PubChem CID173022974
Molecular FormulaC5H9Zn-
Molecular Weight134.52 g/mol
Exact Mass133.00
IUPAC Name2-methanidylbut-2-ene;zinc
SMILES[CH2-]C(C)=CC.[Zn]
InChIInChI=1S/C5H9.Zn/c1-4-5(2)3;/h4H,2H2,1,3H3;/q-1;
InChIKeyQBZKJTFNRITDCJ-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.52
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 144902553
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CID 59479588

Frequently Asked Questions

What is the IUPAC name of 2-methanidylbut-2-ene;zinc?
The IUPAC name of 2-methanidylbut-2-ene;zinc (CID 173022974) is 2-methanidylbut-2-ene;zinc.
What is the SMILES notation for 2-methanidylbut-2-ene;zinc?
The canonical SMILES for 2-methanidylbut-2-ene;zinc is [CH2-]C(C)=CC.[Zn].
What is the InChIKey of 2-methanidylbut-2-ene;zinc?
The InChIKey is QBZKJTFNRITDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9.Zn/c1-4-5(2)3;/h4H,2H2,1,3H3;/q-1;.
What are the key properties of 2-methanidylbut-2-ene;zinc?
2-methanidylbut-2-ene;zinc has a molecular weight of 134.52 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylbut-2-ene;zinc is sourced from PubChem (CID 173022974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).