formylazanide;titanium;dihydrochloride

CH4Cl2NOTi- — CID 174487778

IUPACformylazanide;titanium;dihydrochloride
SMILESCl.Cl.[NH-]C=O.[Ti]
InChIInChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/p-1
InChIKeyQBBSIONQQNSBKH-UHFFFAOYSA-M
MW164.82 g/mol
LogP1.04
Rot. Bonds

About formylazanide;titanium;dihydrochloride

formylazanide;titanium;dihydrochloride (PubChem CID 174487778) has the molecular formula CH4Cl2NOTi- and a molecular weight of 164.82 g/mol. Its IUPAC name is formylazanide;titanium;dihydrochloride.

Molecular Properties

Compound Nameformylazanide;titanium;dihydrochloride
PubChem CID174487778
Molecular FormulaCH4Cl2NOTi-
Molecular Weight164.82 g/mol
Exact Mass163.92
IUPAC Nameformylazanide;titanium;dihydrochloride
SMILESCl.Cl.[NH-]C=O.[Ti]
InChIInChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/p-1
InChIKeyQBBSIONQQNSBKH-UHFFFAOYSA-M
XLogP1.04
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.82
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formylazanide;titanium;dihydrochloride?
The IUPAC name of formylazanide;titanium;dihydrochloride (CID 174487778) is formylazanide;titanium;dihydrochloride.
What is the SMILES notation for formylazanide;titanium;dihydrochloride?
The canonical SMILES for formylazanide;titanium;dihydrochloride is Cl.Cl.[NH-]C=O.[Ti].
What is the InChIKey of formylazanide;titanium;dihydrochloride?
The InChIKey is QBBSIONQQNSBKH-UHFFFAOYSA-M. The full InChI is InChI=1S/CH3NO.2ClH.Ti/c2-1-3;;;/h1H,(H2,2,3);2*1H;/p-1.
What are the key properties of formylazanide;titanium;dihydrochloride?
formylazanide;titanium;dihydrochloride has a molecular weight of 164.82 g/mol, XLogP of 1.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formylazanide;titanium;dihydrochloride is sourced from PubChem (CID 174487778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).