bis(2-iminoacetaldehyde);dihydrochloride

C4H8Cl2N2O2 — CID 173450410

IUPACbis(2-iminoacetaldehyde);dihydrochloride
SMILESCl.Cl.[H]/N=C/C=O.[H]/N=C/C=O
InChIInChI=1S/2C2H3NO.2ClH/c2*3-1-2-4;;/h2*1-3H;2*1H/b2*3-1+;;
InChIKeyMEOLOBVBGVKLTM-ABSMMEQPSA-N
MW187.03 g/mol
LogP0.51
Rot. Bonds2

About bis(2-iminoacetaldehyde);dihydrochloride

bis(2-iminoacetaldehyde);dihydrochloride (PubChem CID 173450410) has the molecular formula C4H8Cl2N2O2 and a molecular weight of 187.03 g/mol. Its IUPAC name is bis(2-iminoacetaldehyde);dihydrochloride.

Molecular Properties

Compound Namebis(2-iminoacetaldehyde);dihydrochloride
PubChem CID173450410
Molecular FormulaC4H8Cl2N2O2
Molecular Weight187.03 g/mol
Exact Mass186.00
IUPAC Namebis(2-iminoacetaldehyde);dihydrochloride
SMILESCl.Cl.[H]/N=C/C=O.[H]/N=C/C=O
InChIInChI=1S/2C2H3NO.2ClH/c2*3-1-2-4;;/h2*1-3H;2*1H/b2*3-1+;;
InChIKeyMEOLOBVBGVKLTM-ABSMMEQPSA-N
XLogP0.51
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-iminoacetaldehyde);dihydrochloride?
The IUPAC name of bis(2-iminoacetaldehyde);dihydrochloride (CID 173450410) is bis(2-iminoacetaldehyde);dihydrochloride.
What is the SMILES notation for bis(2-iminoacetaldehyde);dihydrochloride?
The canonical SMILES for bis(2-iminoacetaldehyde);dihydrochloride is Cl.Cl.[H]/N=C/C=O.[H]/N=C/C=O.
What is the InChIKey of bis(2-iminoacetaldehyde);dihydrochloride?
The InChIKey is MEOLOBVBGVKLTM-ABSMMEQPSA-N. The full InChI is InChI=1S/2C2H3NO.2ClH/c2*3-1-2-4;;/h2*1-3H;2*1H/b2*3-1+;;.
What are the key properties of bis(2-iminoacetaldehyde);dihydrochloride?
bis(2-iminoacetaldehyde);dihydrochloride has a molecular weight of 187.03 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-iminoacetaldehyde);dihydrochloride is sourced from PubChem (CID 173450410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).