(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol

C19H21NO — CID 101349406

IUPAC(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-13-7-12-19-18(17-10-5-2-6-11-17)15-20(19)14-16-8-3-1-4-9-16/h1-12,18-19,21H,13-15H2/b12-7+/t18-,19-/m0/s1
InChIKeyOFKNPVBMHOHRJX-SZCOOPAMSA-N
MW279.38 g/mol
LogP3.20
Rot. Bonds5

About (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol

(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol (PubChem CID 101349406) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
PubChem CID101349406
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol
SMILESOC/C=C/[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H21NO/c21-13-7-12-19-18(17-10-5-2-6-11-17)15-20(19)14-16-8-3-1-4-9-16/h1-12,18-19,21H,13-15H2/b12-7+/t18-,19-/m0/s1
InChIKeyOFKNPVBMHOHRJX-SZCOOPAMSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-1-benzyl-2-(chloromethyl)-3-phenylazetidine
CID 101250941
1-(1-benzyl-3-phenylazetidin-2-yl)ethanone
CID 86209046
1-benzyl-3,4-diphenylpyrrolidine
CID 5136126
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(1S)-1-[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-2-methylpropan-1-amine
CID 101385103
(3S,3aR,8aS)-1-benzyl-4,4-difluoro-3-phenyl-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrole
CID 82017425
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
[(2R,3R)-1-benzyl-3-phenylazetidin-2-yl]-phenylmethanimine;dichloropalladium
CID 11420719
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
(1R)-1-[(2S,3R)-1-benzyl-3-hydroxyazetidin-2-yl]ethane-1,2-diol
CID 56649709

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol (CID 101349406) is (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol is OC/C=C/[C@H]1[C@H](c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol?
The InChIKey is OFKNPVBMHOHRJX-SZCOOPAMSA-N. The full InChI is InChI=1S/C19H21NO/c21-13-7-12-19-18(17-10-5-2-6-11-17)15-20(19)14-16-8-3-1-4-9-16/h1-12,18-19,21H,13-15H2/b12-7+/t18-,19-/m0/s1.
What are the key properties of (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol?
(E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(2S,3R)-1-benzyl-3-phenylazetidin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 101349406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).