bis(2-methylprop-1-ene);pyrrolidine-2,5-dione

C12H21NO2 — CID 157257369

IUPACbis(2-methylprop-1-ene);pyrrolidine-2,5-dione
SMILESC=C(C)C.C=C(C)C.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.2C4H8/c6-3-1-2-4(7)5-3;2*1-4(2)3/h1-2H2,(H,5,6,7);2*1H2,2-3H3
InChIKeyAXAVYKPSABZLIB-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.59
Rot. Bonds

About bis(2-methylprop-1-ene);pyrrolidine-2,5-dione

bis(2-methylprop-1-ene);pyrrolidine-2,5-dione (PubChem CID 157257369) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is bis(2-methylprop-1-ene);pyrrolidine-2,5-dione.

Molecular Properties

Compound Namebis(2-methylprop-1-ene);pyrrolidine-2,5-dione
PubChem CID157257369
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namebis(2-methylprop-1-ene);pyrrolidine-2,5-dione
SMILESC=C(C)C.C=C(C)C.O=C1CCC(=O)N1
InChIInChI=1S/C4H5NO2.2C4H8/c6-3-1-2-4(7)5-3;2*1-4(2)3/h1-2H2,(H,5,6,7);2*1H2,2-3H3
InChIKeyAXAVYKPSABZLIB-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.59
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 bis(2-methylprop-1-ene);pyrrolidine-2,5-dione?
The IUPAC name of bis(2-methylprop-1-ene);pyrrolidine-2,5-dione (CID 157257369) is bis(2-methylprop-1-ene);pyrrolidine-2,5-dione.
What is the SMILES notation for bis(2-methylprop-1-ene);pyrrolidine-2,5-dione?
The canonical SMILES for bis(2-methylprop-1-ene);pyrrolidine-2,5-dione is C=C(C)C.C=C(C)C.O=C1CCC(=O)N1.
What is the InChIKey of bis(2-methylprop-1-ene);pyrrolidine-2,5-dione?
The InChIKey is AXAVYKPSABZLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.2C4H8/c6-3-1-2-4(7)5-3;2*1-4(2)3/h1-2H2,(H,5,6,7);2*1H2,2-3H3.
What are the key properties of bis(2-methylprop-1-ene);pyrrolidine-2,5-dione?
bis(2-methylprop-1-ene);pyrrolidine-2,5-dione has a molecular weight of 211.30 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-1-ene);pyrrolidine-2,5-dione is sourced from PubChem (CID 157257369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).