1-(2-oxopropyl)pyrrole-2,5-dione

C7H7NO3 — CID 20692341

IUPAC1-(2-oxopropyl)pyrrole-2,5-dione
SMILESCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3/c1-5(9)4-8-6(10)2-3-7(8)11/h2-3H,4H2,1H3
InChIKeyZSGAKFQBDCKAQV-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.50
Rot. Bonds2

About 1-(2-oxopropyl)pyrrole-2,5-dione

1-(2-oxopropyl)pyrrole-2,5-dione (PubChem CID 20692341) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-(2-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-oxopropyl)pyrrole-2,5-dione
PubChem CID20692341
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-(2-oxopropyl)pyrrole-2,5-dione
SMILESCC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3/c1-5(9)4-8-6(10)2-3-7(8)11/h2-3H,4H2,1H3
InChIKeyZSGAKFQBDCKAQV-UHFFFAOYSA-N
XLogP-0.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2-oxopropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-oxopropyl)pyrrole-2,5-dione (CID 20692341) is 1-(2-oxopropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-oxopropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-oxopropyl)pyrrole-2,5-dione is CC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-oxopropyl)pyrrole-2,5-dione?
The InChIKey is ZSGAKFQBDCKAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-5(9)4-8-6(10)2-3-7(8)11/h2-3H,4H2,1H3.
What are the key properties of 1-(2-oxopropyl)pyrrole-2,5-dione?
1-(2-oxopropyl)pyrrole-2,5-dione has a molecular weight of 153.14 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 20692341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).