2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

C14H24N2O2 — CID 102743777

IUPAC2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC(C(=O)N1CC(C)(C)OC(C)(C)C1)=C1CNC1
InChIInChI=1S/C14H24N2O2/c1-10(11-6-15-7-11)12(17)16-8-13(2,3)18-14(4,5)9-16/h15H,6-9H2,1-5H3
InChIKeyOEUSNSFFBGXNLV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.32
Rot. Bonds1

About 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (PubChem CID 102743777) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
PubChem CID102743777
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC(C(=O)N1CC(C)(C)OC(C)(C)C1)=C1CNC1
InChIInChI=1S/C14H24N2O2/c1-10(11-6-15-7-11)12(17)16-8-13(2,3)18-14(4,5)9-16/h15H,6-9H2,1-5H3
InChIKeyOEUSNSFFBGXNLV-UHFFFAOYSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (CID 102743777) is 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is CC(C(=O)N1CC(C)(C)OC(C)(C)C1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The InChIKey is OEUSNSFFBGXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(11-6-15-7-11)12(17)16-8-13(2,3)18-14(4,5)9-16/h15H,6-9H2,1-5H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 102743777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).