N,N-dimethylformamide;oxonickel

C3H7NNiO2 — CID 175038088

IUPACN,N-dimethylformamide;oxonickel
SMILESCN(C)C=O.O=[Ni]
InChIInChI=1S/C3H7NO.Ni.O/c1-4(2)3-5;;/h3H,1-2H3;;
InChIKeyRJHMTLOGWJZWPL-UHFFFAOYSA-N
MW147.79 g/mol
LogP-0.42
Rot. Bonds1

About N,N-dimethylformamide;oxonickel

N,N-dimethylformamide;oxonickel (PubChem CID 175038088) has the molecular formula C3H7NNiO2 and a molecular weight of 147.79 g/mol. Its IUPAC name is N,N-dimethylformamide;oxonickel.

Molecular Properties

Compound NameN,N-dimethylformamide;oxonickel
PubChem CID175038088
Molecular FormulaC3H7NNiO2
Molecular Weight147.79 g/mol
Exact Mass146.98
IUPAC NameN,N-dimethylformamide;oxonickel
SMILESCN(C)C=O.O=[Ni]
InChIInChI=1S/C3H7NO.Ni.O/c1-4(2)3-5;;/h3H,1-2H3;;
InChIKeyRJHMTLOGWJZWPL-UHFFFAOYSA-N
XLogP-0.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.79
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 159352431
CID 159352431
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
potassium;N,N-dimethylformamide;iodide
CID 87701364
N,N-dimethylformamide;gold;hydrochloride
CID 174891065
CID 175333596
CID 175333596
N,N-dimethylformamide;methanethiol
CID 86741828
azanium;N,N-dimethylformamide;chloride
CID 159495814
lithium;N,N-dimethylformamide;iodide
CID 161014546
N,N-dimethylformamide;sulfur monoxide
CID 87147971
barium(2+);N,N-dimethylformamide;hydride;hydrate
CID 174779878
calcium;N,N-dimethylformamide;hydride;hydrate
CID 175068153

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;oxonickel?
The IUPAC name of N,N-dimethylformamide;oxonickel (CID 175038088) is N,N-dimethylformamide;oxonickel.
What is the SMILES notation for N,N-dimethylformamide;oxonickel?
The canonical SMILES for N,N-dimethylformamide;oxonickel is CN(C)C=O.O=[Ni].
What is the InChIKey of N,N-dimethylformamide;oxonickel?
The InChIKey is RJHMTLOGWJZWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.Ni.O/c1-4(2)3-5;;/h3H,1-2H3;;.
What are the key properties of N,N-dimethylformamide;oxonickel?
N,N-dimethylformamide;oxonickel has a molecular weight of 147.79 g/mol, XLogP of -0.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;oxonickel is sourced from PubChem (CID 175038088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).