N-methylformamide;titanium

C2H5NOTi — CID 175536868

IUPACN-methylformamide;titanium
SMILESCNC=O.[Ti]
InChIInChI=1S/C2H5NO.Ti/c1-3-2-4;/h2H,1H3,(H,3,4);
InChIKeyVHBIYVLYEUUSPC-UHFFFAOYSA-N
MW106.93 g/mol
LogP-0.64
Rot. Bonds1

About N-methylformamide;titanium

N-methylformamide;titanium (PubChem CID 175536868) has the molecular formula C2H5NOTi and a molecular weight of 106.93 g/mol. Its IUPAC name is N-methylformamide;titanium.

Molecular Properties

Compound NameN-methylformamide;titanium
PubChem CID175536868
Molecular FormulaC2H5NOTi
Molecular Weight106.93 g/mol
Exact Mass106.99
IUPAC NameN-methylformamide;titanium
SMILESCNC=O.[Ti]
InChIInChI=1S/C2H5NO.Ti/c1-3-2-4;/h2H,1H3,(H,3,4);
InChIKeyVHBIYVLYEUUSPC-UHFFFAOYSA-N
XLogP-0.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.93
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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cyclobutane;N-methylformamide
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carbonic acid;N-methylformamide
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methane;bis(N-methylformamide);propanal
CID 158729110
methane;tris(N-methylacetamide);N-methylformamide
CID 158395174
dimethyl sulfate;N-methylformamide
CID 158782735
ethane;N-methylformamide;octane
CID 164590964
CID 18450848
CID 18450848
N-formylprop-2-enamide;N-methylformamide
CID 159760738
N-hydroxyformamide;titanium
CID 174147037
formyl chloride;N-methylmethanamine
CID 159076445

Frequently Asked Questions

What is the IUPAC name of N-methylformamide;titanium?
The IUPAC name of N-methylformamide;titanium (CID 175536868) is N-methylformamide;titanium.
What is the SMILES notation for N-methylformamide;titanium?
The canonical SMILES for N-methylformamide;titanium is CNC=O.[Ti].
What is the InChIKey of N-methylformamide;titanium?
The InChIKey is VHBIYVLYEUUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.Ti/c1-3-2-4;/h2H,1H3,(H,3,4);.
What are the key properties of N-methylformamide;titanium?
N-methylformamide;titanium has a molecular weight of 106.93 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylformamide;titanium is sourced from PubChem (CID 175536868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).