2-methanidyloxirane;titanium

C3H5OTi- — CID 154149762

IUPAC2-methanidyloxirane;titanium
SMILES[CH2-]C1CO1.[Ti]
InChIInChI=1S/C3H5O.Ti/c1-3-2-4-3;/h3H,1-2H2;/q-1;
InChIKeyKFBJEGRZXIDUEK-UHFFFAOYSA-N
MW104.94 g/mol
LogP0.22
Rot. Bonds

About 2-methanidyloxirane;titanium

2-methanidyloxirane;titanium (PubChem CID 154149762) has the molecular formula C3H5OTi- and a molecular weight of 104.94 g/mol. Its IUPAC name is 2-methanidyloxirane;titanium.

Molecular Properties

Compound Name2-methanidyloxirane;titanium
PubChem CID154149762
Molecular FormulaC3H5OTi-
Molecular Weight104.94 g/mol
Exact Mass104.98
IUPAC Name2-methanidyloxirane;titanium
SMILES[CH2-]C1CO1.[Ti]
InChIInChI=1S/C3H5O.Ti/c1-3-2-4-3;/h3H,1-2H2;/q-1;
InChIKeyKFBJEGRZXIDUEK-UHFFFAOYSA-N
XLogP0.22
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.94
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanidyloxirane;titanium?
The IUPAC name of 2-methanidyloxirane;titanium (CID 154149762) is 2-methanidyloxirane;titanium.
What is the SMILES notation for 2-methanidyloxirane;titanium?
The canonical SMILES for 2-methanidyloxirane;titanium is [CH2-]C1CO1.[Ti].
What is the InChIKey of 2-methanidyloxirane;titanium?
The InChIKey is KFBJEGRZXIDUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O.Ti/c1-3-2-4-3;/h3H,1-2H2;/q-1;.
What are the key properties of 2-methanidyloxirane;titanium?
2-methanidyloxirane;titanium has a molecular weight of 104.94 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyloxirane;titanium is sourced from PubChem (CID 154149762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).