3-morpholin-4-ylbenzonitrile

C11H12N2O — CID 7060556

IUPAC3-morpholin-4-ylbenzonitrile
SMILESN#Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H12N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7H2
InChIKeyOQRDPCPTEDSJHU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds1

About 3-morpholin-4-ylbenzonitrile

3-morpholin-4-ylbenzonitrile (PubChem CID 7060556) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-morpholin-4-ylbenzonitrile
PubChem CID7060556
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-morpholin-4-ylbenzonitrile
SMILESN#Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H12N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7H2
InChIKeyOQRDPCPTEDSJHU-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-morpholin-4-ylbenzonitrile 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 3-morpholin-4-ylbenzonitrile?
The IUPAC name of 3-morpholin-4-ylbenzonitrile (CID 7060556) is 3-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 3-morpholin-4-ylbenzonitrile?
The canonical SMILES for 3-morpholin-4-ylbenzonitrile is N#Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylbenzonitrile?
The InChIKey is OQRDPCPTEDSJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-9-10-2-1-3-11(8-10)13-4-6-14-7-5-13/h1-3,8H,4-7H2.
What are the key properties of 3-morpholin-4-ylbenzonitrile?
3-morpholin-4-ylbenzonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 7060556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).