tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate

C12H19NO4 — CID 165467919

IUPACtert-butyl 2-prop-2-enoylmorpholine-4-carboxylate
SMILESC=CC(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H19NO4/c1-5-9(14)10-8-13(6-7-16-10)11(15)17-12(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyYWEFNCCYUNHHHS-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate

tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate (PubChem CID 165467919) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-prop-2-enoylmorpholine-4-carboxylate
PubChem CID165467919
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl 2-prop-2-enoylmorpholine-4-carboxylate
SMILESC=CC(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H19NO4/c1-5-9(14)10-8-13(6-7-16-10)11(15)17-12(2,3)4/h5,10H,1,6-8H2,2-4H3
InChIKeyYWEFNCCYUNHHHS-UHFFFAOYSA-N
XLogP1.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate (CID 165467919) is tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate is C=CC(=O)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate?
The InChIKey is YWEFNCCYUNHHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-9(14)10-8-13(6-7-16-10)11(15)17-12(2,3)4/h5,10H,1,6-8H2,2-4H3.
What are the key properties of tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate?
tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-prop-2-enoylmorpholine-4-carboxylate is sourced from PubChem (CID 165467919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).