3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate

C11H15NO5 — CID 89026437

IUPAC3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate
SMILESC=C(C)OC(=O)N1CCC(=O)C(C(=O)OC)C1
InChIInChI=1S/C11H15NO5/c1-7(2)17-11(15)12-5-4-9(13)8(6-12)10(14)16-3/h8H,1,4-6H2,2-3H3
InChIKeyCTLRXCUSYRYRIA-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.72
Rot. Bonds2

About 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate

3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate (PubChem CID 89026437) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate
PubChem CID89026437
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate
SMILESC=C(C)OC(=O)N1CCC(=O)C(C(=O)OC)C1
InChIInChI=1S/C11H15NO5/c1-7(2)17-11(15)12-5-4-9(13)8(6-12)10(14)16-3/h8H,1,4-6H2,2-3H3
InChIKeyCTLRXCUSYRYRIA-UHFFFAOYSA-N
XLogP0.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate?
The IUPAC name of 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate (CID 89026437) is 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate.
What is the SMILES notation for 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate?
The canonical SMILES for 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate is C=C(C)OC(=O)N1CCC(=O)C(C(=O)OC)C1.
What is the InChIKey of 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate?
The InChIKey is CTLRXCUSYRYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7(2)17-11(15)12-5-4-9(13)8(6-12)10(14)16-3/h8H,1,4-6H2,2-3H3.
What are the key properties of 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate?
3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate has a molecular weight of 241.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-methyl 1-O-prop-1-en-2-yl 4-oxopiperidine-1,3-dicarboxylate is sourced from PubChem (CID 89026437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).