CID 174491455

C2H9AlNO3 — CID 174491455

IUPAC—
SMILESNCC(=O)O.O.[AlH2]
InChIInChI=1S/C2H5NO2.Al.H2O.2H/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;1H2;;
InChIKeyYIWLXKJKURKFPH-UHFFFAOYSA-N
MW122.08 g/mol
LogP-2.71
Rot. Bonds1

About CID 174491455

CID 174491455 (PubChem CID 174491455) has the molecular formula C2H9AlNO3 and a molecular weight of 122.08 g/mol.

Molecular Properties

Compound NameCID 174491455
PubChem CID174491455
Molecular FormulaC2H9AlNO3
Molecular Weight122.08 g/mol
Exact Mass122.04
IUPAC Name—
SMILESNCC(=O)O.O.[AlH2]
InChIInChI=1S/C2H5NO2.Al.H2O.2H/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;1H2;;
InChIKeyYIWLXKJKURKFPH-UHFFFAOYSA-N
XLogP-2.71
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.08
LogP ≤ 5-2.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174491455?
The IUPAC name of CID 174491455 (CID 174491455) is not available.
What is the SMILES notation for CID 174491455?
The canonical SMILES for CID 174491455 is NCC(=O)O.O.[AlH2].
What is the InChIKey of CID 174491455?
The InChIKey is YIWLXKJKURKFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.Al.H2O.2H/c3-1-2(4)5;;;;/h1,3H2,(H,4,5);;1H2;;.
What are the key properties of CID 174491455?
CID 174491455 has a molecular weight of 122.08 g/mol, XLogP of -2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174491455 is sourced from PubChem (CID 174491455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).