4-(3-morpholin-4-ylpropanoyl)benzonitrile

C14H16N2O2 — CID 58514183

IUPAC4-(3-morpholin-4-ylpropanoyl)benzonitrile
SMILESN#Cc1ccc(C(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C14H16N2O2/c15-11-12-1-3-13(4-2-12)14(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2
InChIKeyDMYSGGNPMSDIOW-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.46
Rot. Bonds4

About 4-(3-morpholin-4-ylpropanoyl)benzonitrile

4-(3-morpholin-4-ylpropanoyl)benzonitrile (PubChem CID 58514183) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropanoyl)benzonitrile.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropanoyl)benzonitrile
PubChem CID58514183
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(3-morpholin-4-ylpropanoyl)benzonitrile
SMILESN#Cc1ccc(C(=O)CCN2CCOCC2)cc1
InChIInChI=1S/C14H16N2O2/c15-11-12-1-3-13(4-2-12)14(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2
InChIKeyDMYSGGNPMSDIOW-UHFFFAOYSA-N
XLogP1.46
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropanoyl)benzonitrile?
The IUPAC name of 4-(3-morpholin-4-ylpropanoyl)benzonitrile (CID 58514183) is 4-(3-morpholin-4-ylpropanoyl)benzonitrile.
What is the SMILES notation for 4-(3-morpholin-4-ylpropanoyl)benzonitrile?
The canonical SMILES for 4-(3-morpholin-4-ylpropanoyl)benzonitrile is N#Cc1ccc(C(=O)CCN2CCOCC2)cc1.
What is the InChIKey of 4-(3-morpholin-4-ylpropanoyl)benzonitrile?
The InChIKey is DMYSGGNPMSDIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-11-12-1-3-13(4-2-12)14(17)5-6-16-7-9-18-10-8-16/h1-4H,5-10H2.
What are the key properties of 4-(3-morpholin-4-ylpropanoyl)benzonitrile?
4-(3-morpholin-4-ylpropanoyl)benzonitrile has a molecular weight of 244.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropanoyl)benzonitrile is sourced from PubChem (CID 58514183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).