aluminum;prop-2-enenitrile;trinitrate

C3H3AlN4O9 — CID 174932506

IUPACaluminum;prop-2-enenitrile;trinitrate
SMILESC=CC#N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Al+3]
InChIInChI=1S/C3H3N.Al.3NO3/c1-2-3-4;;3*2-1(3)4/h2H,1H2;;;;/q;+3;3*-1
InChIKeyFNAVWQUHUAWGRE-UHFFFAOYSA-N
MW266.06 g/mol
LogP-0.40
Rot. Bonds

About aluminum;prop-2-enenitrile;trinitrate

aluminum;prop-2-enenitrile;trinitrate (PubChem CID 174932506) has the molecular formula C3H3AlN4O9 and a molecular weight of 266.06 g/mol. Its IUPAC name is aluminum;prop-2-enenitrile;trinitrate.

Molecular Properties

Compound Namealuminum;prop-2-enenitrile;trinitrate
PubChem CID174932506
Molecular FormulaC3H3AlN4O9
Molecular Weight266.06 g/mol
Exact Mass265.97
IUPAC Namealuminum;prop-2-enenitrile;trinitrate
SMILESC=CC#N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Al+3]
InChIInChI=1S/C3H3N.Al.3NO3/c1-2-3-4;;3*2-1(3)4/h2H,1H2;;;;/q;+3;3*-1
InChIKeyFNAVWQUHUAWGRE-UHFFFAOYSA-N
XLogP-0.40
TPSA222.39 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.06
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

silver;prop-2-enenitrile;nitrate
CID 161335917
nitric acid;prop-2-enenitrile
CID 157263190
dialuminum;prop-2-enenitrile;trisulfate
CID 174931738
prop-2-enenitrile;dihydrate
CID 175150408
CID 159057552
CID 159057552
CID 163776931
CID 163776931
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
aluminum trinitrate
CID 26053
ethenylazanium nitrate
CID 22104965
methanol;prop-2-enenitrile
CID 19700097
copper;prop-2-enenitrile;diacetate
CID 175223345

Frequently Asked Questions

What is the IUPAC name of aluminum;prop-2-enenitrile;trinitrate?
The IUPAC name of aluminum;prop-2-enenitrile;trinitrate (CID 174932506) is aluminum;prop-2-enenitrile;trinitrate.
What is the SMILES notation for aluminum;prop-2-enenitrile;trinitrate?
The canonical SMILES for aluminum;prop-2-enenitrile;trinitrate is C=CC#N.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Al+3].
What is the InChIKey of aluminum;prop-2-enenitrile;trinitrate?
The InChIKey is FNAVWQUHUAWGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.Al.3NO3/c1-2-3-4;;3*2-1(3)4/h2H,1H2;;;;/q;+3;3*-1.
What are the key properties of aluminum;prop-2-enenitrile;trinitrate?
aluminum;prop-2-enenitrile;trinitrate has a molecular weight of 266.06 g/mol, XLogP of -0.40, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;prop-2-enenitrile;trinitrate is sourced from PubChem (CID 174932506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).