cadmium;N,N-diethylformamide

C5H11CdNO — CID 157494696

IUPACcadmium;N,N-diethylformamide
SMILESCCN(C=O)CC.[Cd]
InChIInChI=1S/C5H11NO.Cd/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;
InChIKeyBXROEJYXWIOMQA-UHFFFAOYSA-N
MW213.56 g/mol
LogP0.48
Rot. Bonds3

About cadmium;N,N-diethylformamide

cadmium;N,N-diethylformamide (PubChem CID 157494696) has the molecular formula C5H11CdNO and a molecular weight of 213.56 g/mol. Its IUPAC name is cadmium;N,N-diethylformamide.

Molecular Properties

Compound Namecadmium;N,N-diethylformamide
PubChem CID157494696
Molecular FormulaC5H11CdNO
Molecular Weight213.56 g/mol
Exact Mass214.99
IUPAC Namecadmium;N,N-diethylformamide
SMILESCCN(C=O)CC.[Cd]
InChIInChI=1S/C5H11NO.Cd/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;
InChIKeyBXROEJYXWIOMQA-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.56
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cadmium;N,N-diethylformamide?
The IUPAC name of cadmium;N,N-diethylformamide (CID 157494696) is cadmium;N,N-diethylformamide.
What is the SMILES notation for cadmium;N,N-diethylformamide?
The canonical SMILES for cadmium;N,N-diethylformamide is CCN(C=O)CC.[Cd].
What is the InChIKey of cadmium;N,N-diethylformamide?
The InChIKey is BXROEJYXWIOMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.Cd/c1-3-6(4-2)5-7;/h5H,3-4H2,1-2H3;.
What are the key properties of cadmium;N,N-diethylformamide?
cadmium;N,N-diethylformamide has a molecular weight of 213.56 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium;N,N-diethylformamide is sourced from PubChem (CID 157494696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).