2H-chromene;nickel;phosphane

C9H11NiOP — CID 175556104

IUPAC2H-chromene;nickel;phosphane
SMILESC1=Cc2ccccc2OC1.P.[Ni]
InChIInChI=1S/C9H8O.Ni.H3P/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-6H,7H2;;1H3
InChIKeyRXPJCFDIEKZFTR-UHFFFAOYSA-N
MW224.85 g/mol
LogP2.15
Rot. Bonds

About 2H-chromene;nickel;phosphane

2H-chromene;nickel;phosphane (PubChem CID 175556104) has the molecular formula C9H11NiOP and a molecular weight of 224.85 g/mol. Its IUPAC name is 2H-chromene;nickel;phosphane.

Molecular Properties

Compound Name2H-chromene;nickel;phosphane
PubChem CID175556104
Molecular FormulaC9H11NiOP
Molecular Weight224.85 g/mol
Exact Mass223.99
IUPAC Name2H-chromene;nickel;phosphane
SMILESC1=Cc2ccccc2OC1.P.[Ni]
InChIInChI=1S/C9H8O.Ni.H3P/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-6H,7H2;;1H3
InChIKeyRXPJCFDIEKZFTR-UHFFFAOYSA-N
XLogP2.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.85
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;nickel;phosphane?
The IUPAC name of 2H-chromene;nickel;phosphane (CID 175556104) is 2H-chromene;nickel;phosphane.
What is the SMILES notation for 2H-chromene;nickel;phosphane?
The canonical SMILES for 2H-chromene;nickel;phosphane is C1=Cc2ccccc2OC1.P.[Ni].
What is the InChIKey of 2H-chromene;nickel;phosphane?
The InChIKey is RXPJCFDIEKZFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Ni.H3P/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-6H,7H2;;1H3.
What are the key properties of 2H-chromene;nickel;phosphane?
2H-chromene;nickel;phosphane has a molecular weight of 224.85 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;nickel;phosphane is sourced from PubChem (CID 175556104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).