2-methanidylprop-1-ene;nickel

C4H7Ni2- — CID 173298029

IUPAC2-methanidylprop-1-ene;nickel
SMILESC=C([CH2-])C.[Ni].[Ni]
InChIInChI=1S/C4H7.2Ni/c1-4(2)3;;/h1-2H2,3H3;;/q-1;;
InChIKeyKYURRMHLGNXCGJ-UHFFFAOYSA-N
MW172.49 g/mol
LogP1.39
Rot. Bonds

About 2-methanidylprop-1-ene;nickel

2-methanidylprop-1-ene;nickel (PubChem CID 173298029) has the molecular formula C4H7Ni2- and a molecular weight of 172.49 g/mol. Its IUPAC name is 2-methanidylprop-1-ene;nickel.

Molecular Properties

Compound Name2-methanidylprop-1-ene;nickel
PubChem CID173298029
Molecular FormulaC4H7Ni2-
Molecular Weight172.49 g/mol
Exact Mass170.93
IUPAC Name2-methanidylprop-1-ene;nickel
SMILESC=C([CH2-])C.[Ni].[Ni]
InChIInChI=1S/C4H7.2Ni/c1-4(2)3;;/h1-2H2,3H3;;/q-1;;
InChIKeyKYURRMHLGNXCGJ-UHFFFAOYSA-N
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.49
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanidylprop-1-ene;nickel?
The IUPAC name of 2-methanidylprop-1-ene;nickel (CID 173298029) is 2-methanidylprop-1-ene;nickel.
What is the SMILES notation for 2-methanidylprop-1-ene;nickel?
The canonical SMILES for 2-methanidylprop-1-ene;nickel is C=C([CH2-])C.[Ni].[Ni].
What is the InChIKey of 2-methanidylprop-1-ene;nickel?
The InChIKey is KYURRMHLGNXCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7.2Ni/c1-4(2)3;;/h1-2H2,3H3;;/q-1;;.
What are the key properties of 2-methanidylprop-1-ene;nickel?
2-methanidylprop-1-ene;nickel has a molecular weight of 172.49 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylprop-1-ene;nickel is sourced from PubChem (CID 173298029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).