3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione

C12H17NO2 — CID 70395291

IUPAC3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione
SMILESCC(C)=CC1(C=C(C)C)CC(=O)NC1=O
InChIInChI=1S/C12H17NO2/c1-8(2)5-12(6-9(3)4)7-10(14)13-11(12)15/h5-6H,7H2,1-4H3,(H,13,14,15)
InChIKeyQPIMVMZBEFQDJW-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.95
Rot. Bonds2

About 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione

3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione (PubChem CID 70395291) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione
PubChem CID70395291
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione
SMILESCC(C)=CC1(C=C(C)C)CC(=O)NC1=O
InChIInChI=1S/C12H17NO2/c1-8(2)5-12(6-9(3)4)7-10(14)13-11(12)15/h5-6H,7H2,1-4H3,(H,13,14,15)
InChIKeyQPIMVMZBEFQDJW-UHFFFAOYSA-N
XLogP1.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.95
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 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione?
The IUPAC name of 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione (CID 70395291) is 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione is CC(C)=CC1(C=C(C)C)CC(=O)NC1=O.
What is the InChIKey of 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione?
The InChIKey is QPIMVMZBEFQDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(2)5-12(6-9(3)4)7-10(14)13-11(12)15/h5-6H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione?
3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione has a molecular weight of 207.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 70395291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).