1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione

C12H15NO2 — CID 138648778

IUPAC1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H15NO2/c1-6-8-9(7-2)11(15)13(10(8)14)12(3,4)5/h6-7H,1-2H2,3-5H3
InChIKeyJJHOWCKGKRIDPS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.82
Rot. Bonds2

About 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione

1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione (PubChem CID 138648778) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione
PubChem CID138648778
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H15NO2/c1-6-8-9(7-2)11(15)13(10(8)14)12(3,4)5/h6-7H,1-2H2,3-5H3
InChIKeyJJHOWCKGKRIDPS-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione?
The IUPAC name of 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione (CID 138648778) is 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione?
The InChIKey is JJHOWCKGKRIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-6-8-9(7-2)11(15)13(10(8)14)12(3,4)5/h6-7H,1-2H2,3-5H3.
What are the key properties of 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione?
1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,4-bis(ethenyl)pyrrole-2,5-dione is sourced from PubChem (CID 138648778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).