methyl 3-phenylazetidine-3-carboxylate;tungsten

C11H12NO2W- — CID 58914510

IUPACmethyl 3-phenylazetidine-3-carboxylate;tungsten
SMILESCOC(=O)C1(c2cc[c-]cc2)CNC1.[W]
InChIInChI=1S/C11H12NO2.W/c1-14-10(13)11(7-12-8-11)9-5-3-2-4-6-9;/h3-6,12H,7-8H2,1H3;/q-1;
InChIKeyLIKQPHKHHLGBNL-UHFFFAOYSA-N
MW374.06 g/mol
LogP0.50
Rot. Bonds2

About methyl 3-phenylazetidine-3-carboxylate;tungsten

methyl 3-phenylazetidine-3-carboxylate;tungsten (PubChem CID 58914510) has the molecular formula C11H12NO2W- and a molecular weight of 374.06 g/mol. Its IUPAC name is methyl 3-phenylazetidine-3-carboxylate;tungsten.

Molecular Properties

Compound Namemethyl 3-phenylazetidine-3-carboxylate;tungsten
PubChem CID58914510
Molecular FormulaC11H12NO2W-
Molecular Weight374.06 g/mol
Exact Mass374.04
IUPAC Namemethyl 3-phenylazetidine-3-carboxylate;tungsten
SMILESCOC(=O)C1(c2cc[c-]cc2)CNC1.[W]
InChIInChI=1S/C11H12NO2.W/c1-14-10(13)11(7-12-8-11)9-5-3-2-4-6-9;/h3-6,12H,7-8H2,1H3;/q-1;
InChIKeyLIKQPHKHHLGBNL-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.06
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-phenylazetidine-3-carboxylate;tungsten?
The IUPAC name of methyl 3-phenylazetidine-3-carboxylate;tungsten (CID 58914510) is methyl 3-phenylazetidine-3-carboxylate;tungsten.
What is the SMILES notation for methyl 3-phenylazetidine-3-carboxylate;tungsten?
The canonical SMILES for methyl 3-phenylazetidine-3-carboxylate;tungsten is COC(=O)C1(c2cc[c-]cc2)CNC1.[W].
What is the InChIKey of methyl 3-phenylazetidine-3-carboxylate;tungsten?
The InChIKey is LIKQPHKHHLGBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2.W/c1-14-10(13)11(7-12-8-11)9-5-3-2-4-6-9;/h3-6,12H,7-8H2,1H3;/q-1;.
What are the key properties of methyl 3-phenylazetidine-3-carboxylate;tungsten?
methyl 3-phenylazetidine-3-carboxylate;tungsten has a molecular weight of 374.06 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenylazetidine-3-carboxylate;tungsten is sourced from PubChem (CID 58914510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).