(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine

C12H15NO — CID 100981760

IUPAC(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine
SMILESC=CC[C@@H]1C[C@H](c2ccccc2)ON1
InChIInChI=1S/C12H15NO/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h2-5,7-8,11-13H,1,6,9H2/t11-,12-/m1/s1
InChIKeyZVPCNYVAAFTYNA-VXGBXAGGSA-N
MW189.26 g/mol
LogP2.60
Rot. Bonds3

About (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine

(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine (PubChem CID 100981760) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine
PubChem CID100981760
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine
SMILESC=CC[C@@H]1C[C@H](c2ccccc2)ON1
InChIInChI=1S/C12H15NO/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h2-5,7-8,11-13H,1,6,9H2/t11-,12-/m1/s1
InChIKeyZVPCNYVAAFTYNA-VXGBXAGGSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
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 (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine?
The IUPAC name of (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine (CID 100981760) is (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine is C=CC[C@@H]1C[C@H](c2ccccc2)ON1.
What is the InChIKey of (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine?
The InChIKey is ZVPCNYVAAFTYNA-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h2-5,7-8,11-13H,1,6,9H2/t11-,12-/m1/s1.
What are the key properties of (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine?
(3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine has a molecular weight of 189.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-phenyl-3-prop-2-enyl-1,2-oxazolidine is sourced from PubChem (CID 100981760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).