(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol

C12H15NO — CID 102383033

IUPAC(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
SMILESC=CCN1C[C@@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-2-8-13-9-11(14)12(13)10-6-4-3-5-7-10/h2-7,11-12,14H,1,8-9H2/t11-,12+/m1/s1
InChIKeyZBDIOVJSPRYTJA-NEPJUHHUSA-N
MW189.26 g/mol
LogP1.59
Rot. Bonds3

About (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol

(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol (PubChem CID 102383033) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
PubChem CID102383033
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
SMILESC=CCN1C[C@@H](O)[C@@H]1c1ccccc1
InChIInChI=1S/C12H15NO/c1-2-8-13-9-11(14)12(13)10-6-4-3-5-7-10/h2-7,11-12,14H,1,8-9H2/t11-,12+/m1/s1
InChIKeyZBDIOVJSPRYTJA-NEPJUHHUSA-N
XLogP1.59
TPSA23.47 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 ≤ 51.59
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 (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol?
The IUPAC name of (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol (CID 102383033) is (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol.
What is the SMILES notation for (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol?
The canonical SMILES for (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol is C=CCN1C[C@@H](O)[C@@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol?
The InChIKey is ZBDIOVJSPRYTJA-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-8-13-9-11(14)12(13)10-6-4-3-5-7-10/h2-7,11-12,14H,1,8-9H2/t11-,12+/m1/s1.
What are the key properties of (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol?
(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol has a molecular weight of 189.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol is sourced from PubChem (CID 102383033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).