alumane;butanenitrile

C4H10AlN — CID 174728323

IUPACalumane;butanenitrile
SMILESCCCC#N.[AlH3]
InChIInChI=1S/C4H7N.Al.3H/c1-2-3-4-5;;;;/h2-3H2,1H3;;;;
InChIKeyWMELMZYKKMURPD-UHFFFAOYSA-N
MW99.11 g/mol
LogP0.13
Rot. Bonds1

About alumane;butanenitrile

alumane;butanenitrile (PubChem CID 174728323) has the molecular formula C4H10AlN and a molecular weight of 99.11 g/mol. Its IUPAC name is alumane;butanenitrile.

Molecular Properties

Compound Namealumane;butanenitrile
PubChem CID174728323
Molecular FormulaC4H10AlN
Molecular Weight99.11 g/mol
Exact Mass99.06
IUPAC Namealumane;butanenitrile
SMILESCCCC#N.[AlH3]
InChIInChI=1S/C4H7N.Al.3H/c1-2-3-4-5;;;;/h2-3H2,1H3;;;;
InChIKeyWMELMZYKKMURPD-UHFFFAOYSA-N
XLogP0.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of alumane;butanenitrile?
The IUPAC name of alumane;butanenitrile (CID 174728323) is alumane;butanenitrile.
What is the SMILES notation for alumane;butanenitrile?
The canonical SMILES for alumane;butanenitrile is CCCC#N.[AlH3].
What is the InChIKey of alumane;butanenitrile?
The InChIKey is WMELMZYKKMURPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N.Al.3H/c1-2-3-4-5;;;;/h2-3H2,1H3;;;;.
What are the key properties of alumane;butanenitrile?
alumane;butanenitrile has a molecular weight of 99.11 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;butanenitrile is sourced from PubChem (CID 174728323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).