2-methylprop-2-enoic acid;piperidine-2,6-dione

C9H13NO4 — CID 67914748

IUPAC2-methylprop-2-enoic acid;piperidine-2,6-dione
SMILESC=C(C)C(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C4H6O2/c7-4-2-1-3-5(8)6-4;1-3(2)4(5)6/h1-3H2,(H,6,7,8);1H2,2H3,(H,5,6)
InChIKeyLVKFCJIHIQIEAS-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.46
Rot. Bonds1

About 2-methylprop-2-enoic acid;piperidine-2,6-dione

2-methylprop-2-enoic acid;piperidine-2,6-dione (PubChem CID 67914748) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;piperidine-2,6-dione.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;piperidine-2,6-dione
PubChem CID67914748
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name2-methylprop-2-enoic acid;piperidine-2,6-dione
SMILESC=C(C)C(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C4H6O2/c7-4-2-1-3-5(8)6-4;1-3(2)4(5)6/h1-3H2,(H,6,7,8);1H2,2H3,(H,5,6)
InChIKeyLVKFCJIHIQIEAS-UHFFFAOYSA-N
XLogP0.46
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methylprop-2-enoic acid;piperidine-2,6-dione?
The IUPAC name of 2-methylprop-2-enoic acid;piperidine-2,6-dione (CID 67914748) is 2-methylprop-2-enoic acid;piperidine-2,6-dione.
What is the SMILES notation for 2-methylprop-2-enoic acid;piperidine-2,6-dione?
The canonical SMILES for 2-methylprop-2-enoic acid;piperidine-2,6-dione is C=C(C)C(=O)O.O=C1CCCC(=O)N1.
What is the InChIKey of 2-methylprop-2-enoic acid;piperidine-2,6-dione?
The InChIKey is LVKFCJIHIQIEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C4H6O2/c7-4-2-1-3-5(8)6-4;1-3(2)4(5)6/h1-3H2,(H,6,7,8);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;piperidine-2,6-dione?
2-methylprop-2-enoic acid;piperidine-2,6-dione has a molecular weight of 199.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;piperidine-2,6-dione is sourced from PubChem (CID 67914748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).