methyl prop-2-enoate;piperidine-2,6-dione

C9H13NO4 — CID 174345681

IUPACmethyl prop-2-enoate;piperidine-2,6-dione
SMILESC=CC(=O)OC.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C4H6O2/c7-4-2-1-3-5(8)6-4;1-3-4(5)6-2/h1-3H2,(H,6,7,8);3H,1H2,2H3
InChIKeyFGDMYZRFZCNGGY-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.16
Rot. Bonds1

About methyl prop-2-enoate;piperidine-2,6-dione

methyl prop-2-enoate;piperidine-2,6-dione (PubChem CID 174345681) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl prop-2-enoate;piperidine-2,6-dione.

Molecular Properties

Compound Namemethyl prop-2-enoate;piperidine-2,6-dione
PubChem CID174345681
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl prop-2-enoate;piperidine-2,6-dione
SMILESC=CC(=O)OC.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C4H6O2/c7-4-2-1-3-5(8)6-4;1-3-4(5)6-2/h1-3H2,(H,6,7,8);3H,1H2,2H3
InChIKeyFGDMYZRFZCNGGY-UHFFFAOYSA-N
XLogP0.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;piperidine-2,6-dione?
The IUPAC name of methyl prop-2-enoate;piperidine-2,6-dione (CID 174345681) is methyl prop-2-enoate;piperidine-2,6-dione.
What is the SMILES notation for methyl prop-2-enoate;piperidine-2,6-dione?
The canonical SMILES for methyl prop-2-enoate;piperidine-2,6-dione is C=CC(=O)OC.O=C1CCCC(=O)N1.
What is the InChIKey of methyl prop-2-enoate;piperidine-2,6-dione?
The InChIKey is FGDMYZRFZCNGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C4H6O2/c7-4-2-1-3-5(8)6-4;1-3-4(5)6-2/h1-3H2,(H,6,7,8);3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;piperidine-2,6-dione?
methyl prop-2-enoate;piperidine-2,6-dione has a molecular weight of 199.21 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;piperidine-2,6-dione is sourced from PubChem (CID 174345681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).