2-methylprop-1-ene;pyrrolidine-2,5-dione

C8H13NO2 — CID 22145183

IUPAC2-methylprop-1-ene;pyrrolidine-2,5-dione
SMILESC=C(C)C.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H8/c6-3-1-2-4(7)5-3;1-4(2)3/h1-2H2,(H,5,6,7);1H2,2-3H3
InChIKeyGNLLVGLBEKGLTI-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.01
Rot. Bonds

About 2-methylprop-1-ene;pyrrolidine-2,5-dione

2-methylprop-1-ene;pyrrolidine-2,5-dione (PubChem CID 22145183) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-methylprop-1-ene;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name2-methylprop-1-ene;pyrrolidine-2,5-dione
PubChem CID22145183
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-methylprop-1-ene;pyrrolidine-2,5-dione
SMILESC=C(C)C.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.C4H8/c6-3-1-2-4(7)5-3;1-4(2)3/h1-2H2,(H,5,6,7);1H2,2-3H3
InChIKeyGNLLVGLBEKGLTI-UHFFFAOYSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-ene;pyrrolidine-2,5-dione?
The IUPAC name of 2-methylprop-1-ene;pyrrolidine-2,5-dione (CID 22145183) is 2-methylprop-1-ene;pyrrolidine-2,5-dione.
What is the SMILES notation for 2-methylprop-1-ene;pyrrolidine-2,5-dione?
The canonical SMILES for 2-methylprop-1-ene;pyrrolidine-2,5-dione is C=C(C)C.O=C1CCC(=O)N1.
What is the InChIKey of 2-methylprop-1-ene;pyrrolidine-2,5-dione?
The InChIKey is GNLLVGLBEKGLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C4H8/c6-3-1-2-4(7)5-3;1-4(2)3/h1-2H2,(H,5,6,7);1H2,2-3H3.
What are the key properties of 2-methylprop-1-ene;pyrrolidine-2,5-dione?
2-methylprop-1-ene;pyrrolidine-2,5-dione has a molecular weight of 155.20 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-ene;pyrrolidine-2,5-dione is sourced from PubChem (CID 22145183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).