4-phenylmorpholine-2-carbonitrile

C11H12N2O — CID 67651414

IUPAC4-phenylmorpholine-2-carbonitrile
SMILESN#CC1CN(c2ccccc2)CCO1
InChIInChI=1S/C11H12N2O/c12-8-11-9-13(6-7-14-11)10-4-2-1-3-5-10/h1-5,11H,6-7,9H2
InChIKeyWPIQHWMEDSILBY-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds1

About 4-phenylmorpholine-2-carbonitrile

4-phenylmorpholine-2-carbonitrile (PubChem CID 67651414) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-phenylmorpholine-2-carbonitrile.

Molecular Properties

Compound Name4-phenylmorpholine-2-carbonitrile
PubChem CID67651414
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-phenylmorpholine-2-carbonitrile
SMILESN#CC1CN(c2ccccc2)CCO1
InChIInChI=1S/C11H12N2O/c12-8-11-9-13(6-7-14-11)10-4-2-1-3-5-10/h1-5,11H,6-7,9H2
InChIKeyWPIQHWMEDSILBY-UHFFFAOYSA-N
XLogP1.42
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenylmorpholine-2-carbonitrile 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-phenylmorpholine-2-carbonitrile?
The IUPAC name of 4-phenylmorpholine-2-carbonitrile (CID 67651414) is 4-phenylmorpholine-2-carbonitrile.
What is the SMILES notation for 4-phenylmorpholine-2-carbonitrile?
The canonical SMILES for 4-phenylmorpholine-2-carbonitrile is N#CC1CN(c2ccccc2)CCO1.
What is the InChIKey of 4-phenylmorpholine-2-carbonitrile?
The InChIKey is WPIQHWMEDSILBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-8-11-9-13(6-7-14-11)10-4-2-1-3-5-10/h1-5,11H,6-7,9H2.
What are the key properties of 4-phenylmorpholine-2-carbonitrile?
4-phenylmorpholine-2-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmorpholine-2-carbonitrile is sourced from PubChem (CID 67651414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).