4H-chromene;methane;nickel

C10H12NiO — CID 89189143

IUPAC4H-chromene;methane;nickel
SMILESC.C1=COc2ccccc2C1.[Ni]
InChIInChI=1S/C9H8O.CH4.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-4,6-7H,5H2;1H4;
InChIKeyNJBUCBGSWIELPZ-UHFFFAOYSA-N
MW206.90 g/mol
LogP2.77
Rot. Bonds

About 4H-chromene;methane;nickel

4H-chromene;methane;nickel (PubChem CID 89189143) has the molecular formula C10H12NiO and a molecular weight of 206.90 g/mol. Its IUPAC name is 4H-chromene;methane;nickel.

Molecular Properties

Compound Name4H-chromene;methane;nickel
PubChem CID89189143
Molecular FormulaC10H12NiO
Molecular Weight206.90 g/mol
Exact Mass206.02
IUPAC Name4H-chromene;methane;nickel
SMILESC.C1=COc2ccccc2C1.[Ni]
InChIInChI=1S/C9H8O.CH4.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-4,6-7H,5H2;1H4;
InChIKeyNJBUCBGSWIELPZ-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.90
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4H-chromene;methane;nickel?
The IUPAC name of 4H-chromene;methane;nickel (CID 89189143) is 4H-chromene;methane;nickel.
What is the SMILES notation for 4H-chromene;methane;nickel?
The canonical SMILES for 4H-chromene;methane;nickel is C.C1=COc2ccccc2C1.[Ni].
What is the InChIKey of 4H-chromene;methane;nickel?
The InChIKey is NJBUCBGSWIELPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.CH4.Ni/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-4,6-7H,5H2;1H4;.
What are the key properties of 4H-chromene;methane;nickel?
4H-chromene;methane;nickel has a molecular weight of 206.90 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-chromene;methane;nickel is sourced from PubChem (CID 89189143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).