4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile

C15H24N2O3 — CID 84588524

IUPAC4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile
SMILESCCC(OC1CCCCC1)C(=O)N1CCOCC1C#N
InChIInChI=1S/C15H24N2O3/c1-2-14(20-13-6-4-3-5-7-13)15(18)17-8-9-19-11-12(17)10-16/h12-14H,2-9,11H2,1H3
InChIKeyNWDJELCPRGEGSE-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.87
Rot. Bonds4

About 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile

4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile (PubChem CID 84588524) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile
PubChem CID84588524
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile
SMILESCCC(OC1CCCCC1)C(=O)N1CCOCC1C#N
InChIInChI=1S/C15H24N2O3/c1-2-14(20-13-6-4-3-5-7-13)15(18)17-8-9-19-11-12(17)10-16/h12-14H,2-9,11H2,1H3
InChIKeyNWDJELCPRGEGSE-UHFFFAOYSA-N
XLogP1.87
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile (CID 84588524) is 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile is CCC(OC1CCCCC1)C(=O)N1CCOCC1C#N.
What is the InChIKey of 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile?
The InChIKey is NWDJELCPRGEGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-14(20-13-6-4-3-5-7-13)15(18)17-8-9-19-11-12(17)10-16/h12-14H,2-9,11H2,1H3.
What are the key properties of 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile?
4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyloxybutanoyl)morpholine-3-carbonitrile is sourced from PubChem (CID 84588524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).