methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione

C12H17NO4 — CID 158497470

IUPACmethyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione
SMILESC=C(C)C(=O)OC.CC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO2.C5H8O2/c1-5(2)8-6(9)3-4-7(8)10;1-4(2)5(6)7-3/h3-5H,1-2H3;1H2,2-3H3
InChIKeyHJLXARNDMDABRY-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.06
Rot. Bonds2

About methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione

methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione (PubChem CID 158497470) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione
PubChem CID158497470
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione
SMILESC=C(C)C(=O)OC.CC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO2.C5H8O2/c1-5(2)8-6(9)3-4-7(8)10;1-4(2)5(6)7-3/h3-5H,1-2H3;1H2,2-3H3
InChIKeyHJLXARNDMDABRY-UHFFFAOYSA-N
XLogP1.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione (CID 158497470) is methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione is C=C(C)C(=O)OC.CC(C)N1C(=O)C=CC1=O.
What is the InChIKey of methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is HJLXARNDMDABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C5H8O2/c1-5(2)8-6(9)3-4-7(8)10;1-4(2)5(6)7-3/h3-5H,1-2H3;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione?
methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 239.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 158497470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).