3-cyclopropylpyrrole-2,5-dione

C7H7NO2 — CID 67625736

IUPAC3-cyclopropylpyrrole-2,5-dione
SMILESO=C1C=C(C2CC2)C(=O)N1
InChIInChI=1S/C7H7NO2/c9-6-3-5(4-1-2-4)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)
InChIKeyUJPZQWWUPIFCNI-UHFFFAOYSA-N
MW137.14 g/mol
LogP-0.02
Rot. Bonds1

About 3-cyclopropylpyrrole-2,5-dione

3-cyclopropylpyrrole-2,5-dione (PubChem CID 67625736) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-cyclopropylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-cyclopropylpyrrole-2,5-dione
PubChem CID67625736
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-cyclopropylpyrrole-2,5-dione
SMILESO=C1C=C(C2CC2)C(=O)N1
InChIInChI=1S/C7H7NO2/c9-6-3-5(4-1-2-4)7(10)8-6/h3-4H,1-2H2,(H,8,9,10)
InChIKeyUJPZQWWUPIFCNI-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
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 3-cyclopropylpyrrole-2,5-dione?
The IUPAC name of 3-cyclopropylpyrrole-2,5-dione (CID 67625736) is 3-cyclopropylpyrrole-2,5-dione.
What is the SMILES notation for 3-cyclopropylpyrrole-2,5-dione?
The canonical SMILES for 3-cyclopropylpyrrole-2,5-dione is O=C1C=C(C2CC2)C(=O)N1.
What is the InChIKey of 3-cyclopropylpyrrole-2,5-dione?
The InChIKey is UJPZQWWUPIFCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-6-3-5(4-1-2-4)7(10)8-6/h3-4H,1-2H2,(H,8,9,10).
What are the key properties of 3-cyclopropylpyrrole-2,5-dione?
3-cyclopropylpyrrole-2,5-dione has a molecular weight of 137.14 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpyrrole-2,5-dione is sourced from PubChem (CID 67625736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).