acetonitrile;alumane

C2H6AlN — CID 174397920

IUPACacetonitrile;alumane
SMILESCC#N.[AlH3]
InChIInChI=1S/C2H3N.Al.3H/c1-2-3;;;;/h1H3;;;;
InChIKeyDGSZZCBOOISPRH-UHFFFAOYSA-N
MW71.06 g/mol
LogP-0.65
Rot. Bonds

About acetonitrile;alumane

acetonitrile;alumane (PubChem CID 174397920) has the molecular formula C2H6AlN and a molecular weight of 71.06 g/mol. Its IUPAC name is acetonitrile;alumane.

Molecular Properties

Compound Nameacetonitrile;alumane
PubChem CID174397920
Molecular FormulaC2H6AlN
Molecular Weight71.06 g/mol
Exact Mass71.03
IUPAC Nameacetonitrile;alumane
SMILESCC#N.[AlH3]
InChIInChI=1S/C2H3N.Al.3H/c1-2-3;;;;/h1H3;;;;
InChIKeyDGSZZCBOOISPRH-UHFFFAOYSA-N
XLogP-0.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.06
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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tris(acetonitrile);chromium
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tris(acetonitrile);zirconium
CID 159931297
acetonitrile;molecular nitrogen
CID 142623537
acetonitrile;titanium(4+);tetrachloride
CID 174780013
magnesium;acetonitrile;hydride
CID 175350434
acetonitrile;platinum;hydrochloride
CID 88688012
acetonitrile;bromomethane
CID 22594519
acetonitrile;titanium;tetrahydrochloride
CID 174375808
bis(acetonitrile);palladium;hydrochloride
CID 173031121
bis(acetonitrile);azane;ethene
CID 173455151

Frequently Asked Questions

What is the IUPAC name of acetonitrile;alumane?
The IUPAC name of acetonitrile;alumane (CID 174397920) is acetonitrile;alumane.
What is the SMILES notation for acetonitrile;alumane?
The canonical SMILES for acetonitrile;alumane is CC#N.[AlH3].
What is the InChIKey of acetonitrile;alumane?
The InChIKey is DGSZZCBOOISPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.Al.3H/c1-2-3;;;;/h1H3;;;;.
What are the key properties of acetonitrile;alumane?
acetonitrile;alumane has a molecular weight of 71.06 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;alumane is sourced from PubChem (CID 174397920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).