4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile

C18H16N2O2 — CID 21219514

IUPAC4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile
SMILESCC(c1ccccc1)N1C(=O)C(c2ccc(C#N)cc2)C1O
InChIInChI=1S/C18H16N2O2/c1-12(14-5-3-2-4-6-14)20-17(21)16(18(20)22)15-9-7-13(11-19)8-10-15/h2-10,12,16-17,21H,1H3
InChIKeyMZKDCRXSRRYLJA-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.56
Rot. Bonds3

About 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile

4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile (PubChem CID 21219514) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile
PubChem CID21219514
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile
SMILESCC(c1ccccc1)N1C(=O)C(c2ccc(C#N)cc2)C1O
InChIInChI=1S/C18H16N2O2/c1-12(14-5-3-2-4-6-14)20-17(21)16(18(20)22)15-9-7-13(11-19)8-10-15/h2-10,12,16-17,21H,1H3
InChIKeyMZKDCRXSRRYLJA-UHFFFAOYSA-N
XLogP2.56
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile?
The IUPAC name of 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile (CID 21219514) is 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile?
The canonical SMILES for 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile is CC(c1ccccc1)N1C(=O)C(c2ccc(C#N)cc2)C1O.
What is the InChIKey of 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile?
The InChIKey is MZKDCRXSRRYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(14-5-3-2-4-6-14)20-17(21)16(18(20)22)15-9-7-13(11-19)8-10-15/h2-10,12,16-17,21H,1H3.
What are the key properties of 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile?
4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile has a molecular weight of 292.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-4-oxo-1-(1-phenylethyl)azetidin-3-yl]benzonitrile is sourced from PubChem (CID 21219514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).