diethylalumanylium;N-methylprop-2-enamide;chloride

C8H17AlClNO — CID 175303125

IUPACdiethylalumanylium;N-methylprop-2-enamide;chloride
SMILESC=CC(=O)NC.CC[Al+]CC.[Cl-]
InChIInChI=1S/C4H7NO.2C2H5.Al.ClH/c1-3-4(6)5-2;2*1-2;;/h3H,1H2,2H3,(H,5,6);2*1H2,2H3;;1H/q;;;+1;/p-1
InChIKeyPYMDGTORRJCFNV-UHFFFAOYSA-M
MW205.66 g/mol
LogP-1.51
Rot. Bonds3

About diethylalumanylium;N-methylprop-2-enamide;chloride

diethylalumanylium;N-methylprop-2-enamide;chloride (PubChem CID 175303125) has the molecular formula C8H17AlClNO and a molecular weight of 205.66 g/mol. Its IUPAC name is diethylalumanylium;N-methylprop-2-enamide;chloride.

Molecular Properties

Compound Namediethylalumanylium;N-methylprop-2-enamide;chloride
PubChem CID175303125
Molecular FormulaC8H17AlClNO
Molecular Weight205.66 g/mol
Exact Mass205.08
IUPAC Namediethylalumanylium;N-methylprop-2-enamide;chloride
SMILESC=CC(=O)NC.CC[Al+]CC.[Cl-]
InChIInChI=1S/C4H7NO.2C2H5.Al.ClH/c1-3-4(6)5-2;2*1-2;;/h3H,1H2,2H3,(H,5,6);2*1H2,2H3;;1H/q;;;+1;/p-1
InChIKeyPYMDGTORRJCFNV-UHFFFAOYSA-M
XLogP-1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

but-1-ene;N-methylprop-2-enamide
CID 159446883
methanol;bis(N-methylprop-2-enamide)
CID 175170531
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CID 174733111
but-1-ene;N-methylprop-2-enamide;urea
CID 174740802
2-hydroxyacetic acid;N-methylprop-2-enamide
CID 87472265
azane;N-methylprop-2-enamide;2-propylpropanedioic acid
CID 172771679
methylphosphonic acid;N-methylprop-2-enamide
CID 160712581
N-methylprop-2-enamide;prop-2-en-1-amine;hydrochloride
CID 174712757
N-ethylprop-2-enamide;N-methylprop-2-enamide;2-methylprop-1-ene
CID 91512805
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
acetic acid;guanidine;N-methylprop-2-enamide
CID 174639401
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436

Frequently Asked Questions

What is the IUPAC name of diethylalumanylium;N-methylprop-2-enamide;chloride?
The IUPAC name of diethylalumanylium;N-methylprop-2-enamide;chloride (CID 175303125) is diethylalumanylium;N-methylprop-2-enamide;chloride.
What is the SMILES notation for diethylalumanylium;N-methylprop-2-enamide;chloride?
The canonical SMILES for diethylalumanylium;N-methylprop-2-enamide;chloride is C=CC(=O)NC.CC[Al+]CC.[Cl-].
What is the InChIKey of diethylalumanylium;N-methylprop-2-enamide;chloride?
The InChIKey is PYMDGTORRJCFNV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO.2C2H5.Al.ClH/c1-3-4(6)5-2;2*1-2;;/h3H,1H2,2H3,(H,5,6);2*1H2,2H3;;1H/q;;;+1;/p-1.
What are the key properties of diethylalumanylium;N-methylprop-2-enamide;chloride?
diethylalumanylium;N-methylprop-2-enamide;chloride has a molecular weight of 205.66 g/mol, XLogP of -1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylalumanylium;N-methylprop-2-enamide;chloride is sourced from PubChem (CID 175303125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).