(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

C11H12N2O — CID 54650611

IUPAC(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILESN#C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C11H12N2O/c12-6-9-11(10(7-14)13-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,7H2/t9-,10-,11+/m0/s1
InChIKeyUEFFFBIGLNFMIJ-GARJFASQSA-N
MW188.23 g/mol
LogP0.63
Rot. Bonds2

About (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile

(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (PubChem CID 54650611) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
PubChem CID54650611
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
SMILESN#C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1
InChIInChI=1S/C11H12N2O/c12-6-9-11(10(7-14)13-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,7H2/t9-,10-,11+/m0/s1
InChIKeyUEFFFBIGLNFMIJ-GARJFASQSA-N
XLogP0.63
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4S)-4-(2-hydroxyethyl)-3-(4-phenylphenyl)azetidine-2-carbonitrile
CID 166849186
(2R,3R,4R)-3-[4-(2-cyclopentylethynyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
CID 54651107
(2R,3R)-3-phenylaziridine-2-carbonitrile
CID 13181977
3-[4-(2-cyclopentylethynyl)phenyl]-4-ethylazetidine-2-carbonitrile;3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile;methane
CID 163445564
2-hydroxyacetonitrile;phenol
CID 174534012
5-phenyltriazolidine-4-carbonitrile
CID 53435905
(2S,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-phenylazetidine-2-carbonitrile
CID 54650663
aniline;2-hydroxyacetonitrile
CID 158486544
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
(2R,3R,4R)-4-(hydroxymethyl)-1-(2-methoxyacetyl)-3-phenylazetidine-2-carbonitrile
CID 54650221
4-phenylpyrazolidine-3-carbonitrile
CID 53426776
(2R,3S,4S)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
CID 54649892

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile?
The IUPAC name of (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile (CID 54650611) is (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile.
What is the SMILES notation for (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile?
The canonical SMILES for (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile is N#C[C@@H]1N[C@@H](CO)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile?
The InChIKey is UEFFFBIGLNFMIJ-GARJFASQSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-9-11(10(7-14)13-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,7H2/t9-,10-,11+/m0/s1.
What are the key properties of (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile?
(2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile is sourced from PubChem (CID 54650611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).