(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine

C13H17NO — CID 102383032

IUPAC(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
SMILESC=CCN1C[C@@H](OC)[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-9-14-10-12(15-2)13(14)11-7-5-4-6-8-11/h3-8,12-13H,1,9-10H2,2H3/t12-,13+/m1/s1
InChIKeyQWMLQAMLUHSEHS-OLZOCXBDSA-N
MW203.28 g/mol
LogP2.24
Rot. Bonds4

About (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine

(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine (PubChem CID 102383032) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine.

Molecular Properties

Compound Name(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
PubChem CID102383032
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
SMILESC=CCN1C[C@@H](OC)[C@@H]1c1ccccc1
InChIInChI=1S/C13H17NO/c1-3-9-14-10-12(15-2)13(14)11-7-5-4-6-8-11/h3-8,12-13H,1,9-10H2,2H3/t12-,13+/m1/s1
InChIKeyQWMLQAMLUHSEHS-OLZOCXBDSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine?
The IUPAC name of (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine (CID 102383032) is (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine.
What is the SMILES notation for (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine?
The canonical SMILES for (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine is C=CCN1C[C@@H](OC)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine?
The InChIKey is QWMLQAMLUHSEHS-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-9-14-10-12(15-2)13(14)11-7-5-4-6-8-11/h3-8,12-13H,1,9-10H2,2H3/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine?
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine has a molecular weight of 203.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine is sourced from PubChem (CID 102383032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).