CID 174298851

C2H13Al2NO4 — CID 174298851

IUPAC—
SMILESNCC(=O)O.O.O.[AlH3].[AlH]
InChIInChI=1S/C2H5NO2.2Al.2H2O.4H/c3-1-2(4)5;;;;;;;;/h1,3H2,(H,4,5);;;2*1H2;;;;
InChIKeyJTCDMYMCLMRSRV-UHFFFAOYSA-N
MW169.09 g/mol
LogP-4.45
Rot. Bonds1

About CID 174298851

CID 174298851 (PubChem CID 174298851) has the molecular formula C2H13Al2NO4 and a molecular weight of 169.09 g/mol.

Molecular Properties

Compound NameCID 174298851
PubChem CID174298851
Molecular FormulaC2H13Al2NO4
Molecular Weight169.09 g/mol
Exact Mass169.05
IUPAC Name—
SMILESNCC(=O)O.O.O.[AlH3].[AlH]
InChIInChI=1S/C2H5NO2.2Al.2H2O.4H/c3-1-2(4)5;;;;;;;;/h1,3H2,(H,4,5);;;2*1H2;;;;
InChIKeyJTCDMYMCLMRSRV-UHFFFAOYSA-N
XLogP-4.45
TPSA126.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 5-4.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 174298851?
The IUPAC name of CID 174298851 (CID 174298851) is not available.
What is the SMILES notation for CID 174298851?
The canonical SMILES for CID 174298851 is NCC(=O)O.O.O.[AlH3].[AlH].
What is the InChIKey of CID 174298851?
The InChIKey is JTCDMYMCLMRSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO2.2Al.2H2O.4H/c3-1-2(4)5;;;;;;;;/h1,3H2,(H,4,5);;;2*1H2;;;;.
What are the key properties of CID 174298851?
CID 174298851 has a molecular weight of 169.09 g/mol, XLogP of -4.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174298851 is sourced from PubChem (CID 174298851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).