diethylalumane;formamide

C5H14AlNO — CID 175514396

IUPACdiethylalumane;formamide
SMILESCC[AlH]CC.NC=O
InChIInChI=1S/2C2H5.CH3NO.Al.H/c2*1-2;2-1-3;;/h2*1H2,2H3;1H,(H2,2,3);;
InChIKeyXXNNBSREOPXFLM-UHFFFAOYSA-N
MW131.16 g/mol
LogP0.40
Rot. Bonds2

About diethylalumane;formamide

diethylalumane;formamide (PubChem CID 175514396) has the molecular formula C5H14AlNO and a molecular weight of 131.16 g/mol. Its IUPAC name is diethylalumane;formamide.

Molecular Properties

Compound Namediethylalumane;formamide
PubChem CID175514396
Molecular FormulaC5H14AlNO
Molecular Weight131.16 g/mol
Exact Mass131.09
IUPAC Namediethylalumane;formamide
SMILESCC[AlH]CC.NC=O
InChIInChI=1S/2C2H5.CH3NO.Al.H/c2*1-2;2-1-3;;/h2*1H2,2H3;1H,(H2,2,3);;
InChIKeyXXNNBSREOPXFLM-UHFFFAOYSA-N
XLogP0.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 50.40
H-Bond Donors ≤ 51
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 diethylalumane;formamide?
The IUPAC name of diethylalumane;formamide (CID 175514396) is diethylalumane;formamide.
What is the SMILES notation for diethylalumane;formamide?
The canonical SMILES for diethylalumane;formamide is CC[AlH]CC.NC=O.
What is the InChIKey of diethylalumane;formamide?
The InChIKey is XXNNBSREOPXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5.CH3NO.Al.H/c2*1-2;2-1-3;;/h2*1H2,2H3;1H,(H2,2,3);;.
What are the key properties of diethylalumane;formamide?
diethylalumane;formamide has a molecular weight of 131.16 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumane;formamide is sourced from PubChem (CID 175514396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).