1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione

C11H17NO2 — CID 14736439

IUPAC1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C1=C(C(C)C)C(=O)N(C)C1=O
InChIInChI=1S/C11H17NO2/c1-6(2)8-9(7(3)4)11(14)12(5)10(8)13/h6-7H,1-5H3
InChIKeyWQQPGELDKZXIHO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.59
Rot. Bonds2

About 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione

1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione (PubChem CID 14736439) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione
PubChem CID14736439
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione
SMILESCC(C)C1=C(C(C)C)C(=O)N(C)C1=O
InChIInChI=1S/C11H17NO2/c1-6(2)8-9(7(3)4)11(14)12(5)10(8)13/h6-7H,1-5H3
InChIKeyWQQPGELDKZXIHO-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.59
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-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione (CID 14736439) is 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione is CC(C)C1=C(C(C)C)C(=O)N(C)C1=O.
What is the InChIKey of 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione?
The InChIKey is WQQPGELDKZXIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6(2)8-9(7(3)4)11(14)12(5)10(8)13/h6-7H,1-5H3.
What are the key properties of 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione?
1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-di(propan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 14736439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).