1-propan-2-ylpyrrole-2,5-dione

C7H9NO2 — CID 14088

IUPAC1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO2/c1-5(2)8-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKeyNQDOCLXQTQYUDH-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.32
Rot. Bonds1

About 1-propan-2-ylpyrrole-2,5-dione

1-propan-2-ylpyrrole-2,5-dione (PubChem CID 14088) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-propan-2-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-propan-2-ylpyrrole-2,5-dione
PubChem CID14088
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-propan-2-ylpyrrole-2,5-dione
SMILESCC(C)N1C(=O)C=CC1=O
InChIInChI=1S/C7H9NO2/c1-5(2)8-6(9)3-4-7(8)10/h3-5H,1-2H3
InChIKeyNQDOCLXQTQYUDH-UHFFFAOYSA-N
XLogP0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.32
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-propan-2-ylpyrrole-2,5-dione?
The IUPAC name of 1-propan-2-ylpyrrole-2,5-dione (CID 14088) is 1-propan-2-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-propan-2-ylpyrrole-2,5-dione?
The canonical SMILES for 1-propan-2-ylpyrrole-2,5-dione is CC(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-propan-2-ylpyrrole-2,5-dione?
The InChIKey is NQDOCLXQTQYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(2)8-6(9)3-4-7(8)10/h3-5H,1-2H3.
What are the key properties of 1-propan-2-ylpyrrole-2,5-dione?
1-propan-2-ylpyrrole-2,5-dione has a molecular weight of 139.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrole-2,5-dione is sourced from PubChem (CID 14088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).