1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione

C9H13NO3 — CID 91352575

IUPAC1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
SMILESCOC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-9(2,13-3)6-10-7(11)4-5-8(10)12/h4-5H,6H2,1-3H3
InChIKeyATCFBKXEJMNNJY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds3

About 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione

1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione (PubChem CID 91352575) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
PubChem CID91352575
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione
SMILESCOC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO3/c1-9(2,13-3)6-10-7(11)4-5-8(10)12/h4-5H,6H2,1-3H3
InChIKeyATCFBKXEJMNNJY-UHFFFAOYSA-N
XLogP0.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione (CID 91352575) is 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione is COC(C)(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is ATCFBKXEJMNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(2,13-3)6-10-7(11)4-5-8(10)12/h4-5H,6H2,1-3H3.
What are the key properties of 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione?
1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 91352575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).