2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid

C11H15NO5 — CID 67584126

IUPAC2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)C=CN1CCCC1=O
InChIInChI=1S/C7H9NO3.C4H6O2/c9-6-2-1-4-8(6)5-3-7(10)11;1-3(2)4(5)6/h3,5H,1-2,4H2,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyMNZGVSKCOCOUII-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.85
Rot. Bonds3

About 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid

2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid (PubChem CID 67584126) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
PubChem CID67584126
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid
SMILESC=C(C)C(=O)O.O=C(O)C=CN1CCCC1=O
InChIInChI=1S/C7H9NO3.C4H6O2/c9-6-2-1-4-8(6)5-3-7(10)11;1-3(2)4(5)6/h3,5H,1-2,4H2,(H,10,11);1H2,2H3,(H,5,6)
InChIKeyMNZGVSKCOCOUII-UHFFFAOYSA-N
XLogP0.85
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.85
H-Bond Donors ≤ 52
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-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
The IUPAC name of 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid (CID 67584126) is 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
The canonical SMILES for 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid is C=C(C)C(=O)O.O=C(O)C=CN1CCCC1=O.
What is the InChIKey of 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
The InChIKey is MNZGVSKCOCOUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.C4H6O2/c9-6-2-1-4-8(6)5-3-7(10)11;1-3(2)4(5)6/h3,5H,1-2,4H2,(H,10,11);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid?
2-methylprop-2-enoic acid;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.85, 3 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;3-(2-oxopyrrolidin-1-yl)prop-2-enoic acid is sourced from PubChem (CID 67584126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).