(2R,3R)-3-ethenyl-1,2-diphenylazetidine

C17H17N — CID 102111055

IUPAC(2R,3R)-3-ethenyl-1,2-diphenylazetidine
SMILESC=C[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H17N/c1-2-14-13-18(16-11-7-4-8-12-16)17(14)15-9-5-3-6-10-15/h2-12,14,17H,1,13H2/t14-,17-/m1/s1
InChIKeyLUKNZOLFSYJYII-RHSMWYFYSA-N
MW235.33 g/mol
LogP4.05
Rot. Bonds3

About (2R,3R)-3-ethenyl-1,2-diphenylazetidine

(2R,3R)-3-ethenyl-1,2-diphenylazetidine (PubChem CID 102111055) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (2R,3R)-3-ethenyl-1,2-diphenylazetidine.

Molecular Properties

Compound Name(2R,3R)-3-ethenyl-1,2-diphenylazetidine
PubChem CID102111055
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(2R,3R)-3-ethenyl-1,2-diphenylazetidine
SMILESC=C[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C17H17N/c1-2-14-13-18(16-11-7-4-8-12-16)17(14)15-9-5-3-6-10-15/h2-12,14,17H,1,13H2/t14-,17-/m1/s1
InChIKeyLUKNZOLFSYJYII-RHSMWYFYSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-1,3,4,5-tetraphenylimidazolidine
CID 15727757
(2S,3R)-2-phenyl-1-prop-2-enylazetidin-3-ol
CID 102383033
(2R,3R)-3-(4-iodobutyl)-1,2-diphenylazetidine
CID 102092777
3-phenyl-1-prop-2-enylazetidine
CID 23632
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
CID 102383032
1,2-diphenylpyrrolidine;hydrochloride
CID 23512926
[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
CID 134846677
1-ethyl-5-methyl-3,4-diphenylimidazolidine
CID 14143406
(3R,5R)-1,5-diphenylpyrrolidin-3-amine
CID 125491761
(3S)-1-phenyl-3-prop-2-enyl-3,4-dihydro-2,1-benzothiazine
CID 91057103
4-ethenyl-2-phenyloxolan-3-ol
CID 130149084
1,4,5-triphenylpyrrolidin-2-one
CID 3541740

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-ethenyl-1,2-diphenylazetidine?
The IUPAC name of (2R,3R)-3-ethenyl-1,2-diphenylazetidine (CID 102111055) is (2R,3R)-3-ethenyl-1,2-diphenylazetidine.
What is the SMILES notation for (2R,3R)-3-ethenyl-1,2-diphenylazetidine?
The canonical SMILES for (2R,3R)-3-ethenyl-1,2-diphenylazetidine is C=C[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-3-ethenyl-1,2-diphenylazetidine?
The InChIKey is LUKNZOLFSYJYII-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-14-13-18(16-11-7-4-8-12-16)17(14)15-9-5-3-6-10-15/h2-12,14,17H,1,13H2/t14-,17-/m1/s1.
What are the key properties of (2R,3R)-3-ethenyl-1,2-diphenylazetidine?
(2R,3R)-3-ethenyl-1,2-diphenylazetidine has a molecular weight of 235.33 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-ethenyl-1,2-diphenylazetidine is sourced from PubChem (CID 102111055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).