N-hydroxyformamide;titanium

CH3NO2Ti — CID 174147037

IUPACN-hydroxyformamide;titanium
SMILESO=CNO.[Ti]
InChIInChI=1S/CH3NO2.Ti/c3-1-2-4;/h1,4H,(H,2,3);
InChIKeyBVRMUPBGJDJQGA-UHFFFAOYSA-N
MW108.91 g/mol
LogP-0.88
Rot. Bonds1

About N-hydroxyformamide;titanium

N-hydroxyformamide;titanium (PubChem CID 174147037) has the molecular formula CH3NO2Ti and a molecular weight of 108.91 g/mol. Its IUPAC name is N-hydroxyformamide;titanium.

Molecular Properties

Compound NameN-hydroxyformamide;titanium
PubChem CID174147037
Molecular FormulaCH3NO2Ti
Molecular Weight108.91 g/mol
Exact Mass108.96
IUPAC NameN-hydroxyformamide;titanium
SMILESO=CNO.[Ti]
InChIInChI=1S/CH3NO2.Ti/c3-1-2-4;/h1,4H,(H,2,3);
InChIKeyBVRMUPBGJDJQGA-UHFFFAOYSA-N
XLogP-0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.91
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxyformamide;titanium?
The IUPAC name of N-hydroxyformamide;titanium (CID 174147037) is N-hydroxyformamide;titanium.
What is the SMILES notation for N-hydroxyformamide;titanium?
The canonical SMILES for N-hydroxyformamide;titanium is O=CNO.[Ti].
What is the InChIKey of N-hydroxyformamide;titanium?
The InChIKey is BVRMUPBGJDJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO2.Ti/c3-1-2-4;/h1,4H,(H,2,3);.
What are the key properties of N-hydroxyformamide;titanium?
N-hydroxyformamide;titanium has a molecular weight of 108.91 g/mol, XLogP of -0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyformamide;titanium is sourced from PubChem (CID 174147037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).