propanamide;trichloroalumane

C3H7AlCl3NO — CID 174958610

IUPACpropanamide;trichloroalumane
SMILESCCC(N)=O.Cl[Al](Cl)Cl
InChIInChI=1S/C3H7NO.Al.3ClH/c1-2-3(4)5;;;;/h2H2,1H3,(H2,4,5);;3*1H/q;+3;;;/p-3
InChIKeyPSPPABUGGDKWJD-UHFFFAOYSA-K
MW206.44 g/mol
LogP1.57
Rot. Bonds1

About propanamide;trichloroalumane

propanamide;trichloroalumane (PubChem CID 174958610) has the molecular formula C3H7AlCl3NO and a molecular weight of 206.44 g/mol. Its IUPAC name is propanamide;trichloroalumane.

Molecular Properties

Compound Namepropanamide;trichloroalumane
PubChem CID174958610
Molecular FormulaC3H7AlCl3NO
Molecular Weight206.44 g/mol
Exact Mass204.94
IUPAC Namepropanamide;trichloroalumane
SMILESCCC(N)=O.Cl[Al](Cl)Cl
InChIInChI=1S/C3H7NO.Al.3ClH/c1-2-3(4)5;;;;/h2H2,1H3,(H2,4,5);;3*1H/q;+3;;;/p-3
InChIKeyPSPPABUGGDKWJD-UHFFFAOYSA-K
XLogP1.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze propanamide;trichloroalumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;propanamide
CID 160666730
guanidine;propanamide
CID 158320139
propanamide;hydrate;hydrochloride
CID 19791604
propanamide;thionyl dichloride
CID 161371403
cyclohexane;propanamide
CID 143816223
propanamide;propan-1-amine
CID 118437692
propanamide;bis(propan-1-amine)
CID 158390031
phosphoric acid;propanamide
CID 175475634
propanamide;propanedioic acid
CID 174420039
N-ethylethanamine;propanamide
CID 172821181
propanoyl chloride;urea
CID 174974689
potassium;hydrogen sulfite;propanamide
CID 174649785

Frequently Asked Questions

What is the IUPAC name of propanamide;trichloroalumane?
The IUPAC name of propanamide;trichloroalumane (CID 174958610) is propanamide;trichloroalumane.
What is the SMILES notation for propanamide;trichloroalumane?
The canonical SMILES for propanamide;trichloroalumane is CCC(N)=O.Cl[Al](Cl)Cl.
What is the InChIKey of propanamide;trichloroalumane?
The InChIKey is PSPPABUGGDKWJD-UHFFFAOYSA-K. The full InChI is InChI=1S/C3H7NO.Al.3ClH/c1-2-3(4)5;;;;/h2H2,1H3,(H2,4,5);;3*1H/q;+3;;;/p-3.
What are the key properties of propanamide;trichloroalumane?
propanamide;trichloroalumane has a molecular weight of 206.44 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;trichloroalumane is sourced from PubChem (CID 174958610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).