2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one

C14H25NO2 — CID 69032903

IUPAC2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one
SMILESCC(C)=CC(C(=O)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)10-12(14(3,4)5)13(16)15-6-8-17-9-7-15/h10,12H,6-9H2,1-5H3
InChIKeyZGSCBAJCEMIKGK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.47
Rot. Bonds2

About 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one

2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one (PubChem CID 69032903) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one
PubChem CID69032903
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one
SMILESCC(C)=CC(C(=O)N1CCOCC1)C(C)(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)10-12(14(3,4)5)13(16)15-6-8-17-9-7-15/h10,12H,6-9H2,1-5H3
InChIKeyZGSCBAJCEMIKGK-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one?
The IUPAC name of 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one (CID 69032903) is 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one.
What is the SMILES notation for 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one?
The canonical SMILES for 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one is CC(C)=CC(C(=O)N1CCOCC1)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one?
The InChIKey is ZGSCBAJCEMIKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)10-12(14(3,4)5)13(16)15-6-8-17-9-7-15/h10,12H,6-9H2,1-5H3.
What are the key properties of 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one?
2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-1-morpholin-4-ylpent-3-en-1-one is sourced from PubChem (CID 69032903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).