N,N-dimethylformamide;hydroxy(oxo)nickel

C3H8NNiO3 — CID 174946011

IUPACN,N-dimethylformamide;hydroxy(oxo)nickel
SMILESCN(C)C=O.O=[Ni]O
InChIInChI=1S/C3H7NO.Ni.H2O.O/c1-4(2)3-5;;;/h3H,1-2H3;;1H2;/q;+1;;/p-1
InChIKeyONMOCPJOOPBJHC-UHFFFAOYSA-M
MW164.79 g/mol
LogP-0.97
Rot. Bonds1

About N,N-dimethylformamide;hydroxy(oxo)nickel

N,N-dimethylformamide;hydroxy(oxo)nickel (PubChem CID 174946011) has the molecular formula C3H8NNiO3 and a molecular weight of 164.79 g/mol. Its IUPAC name is N,N-dimethylformamide;hydroxy(oxo)nickel.

Molecular Properties

Compound NameN,N-dimethylformamide;hydroxy(oxo)nickel
PubChem CID174946011
Molecular FormulaC3H8NNiO3
Molecular Weight164.79 g/mol
Exact Mass163.99
IUPAC NameN,N-dimethylformamide;hydroxy(oxo)nickel
SMILESCN(C)C=O.O=[Ni]O
InChIInChI=1S/C3H7NO.Ni.H2O.O/c1-4(2)3-5;;;/h3H,1-2H3;;1H2;/q;+1;;/p-1
InChIKeyONMOCPJOOPBJHC-UHFFFAOYSA-M
XLogP-0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.79
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;hydroxy(oxo)nickel?
The IUPAC name of N,N-dimethylformamide;hydroxy(oxo)nickel (CID 174946011) is N,N-dimethylformamide;hydroxy(oxo)nickel.
What is the SMILES notation for N,N-dimethylformamide;hydroxy(oxo)nickel?
The canonical SMILES for N,N-dimethylformamide;hydroxy(oxo)nickel is CN(C)C=O.O=[Ni]O.
What is the InChIKey of N,N-dimethylformamide;hydroxy(oxo)nickel?
The InChIKey is ONMOCPJOOPBJHC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO.Ni.H2O.O/c1-4(2)3-5;;;/h3H,1-2H3;;1H2;/q;+1;;/p-1.
What are the key properties of N,N-dimethylformamide;hydroxy(oxo)nickel?
N,N-dimethylformamide;hydroxy(oxo)nickel has a molecular weight of 164.79 g/mol, XLogP of -0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;hydroxy(oxo)nickel is sourced from PubChem (CID 174946011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).