3-prop-2-enylpyrrole-2,5-dione

C7H7NO2 — CID 19422330

IUPAC3-prop-2-enylpyrrole-2,5-dione
SMILESC=CCC1=CC(=O)NC1=O
InChIInChI=1S/C7H7NO2/c1-2-3-5-4-6(9)8-7(5)10/h2,4H,1,3H2,(H,8,9,10)
InChIKeyZCEFNLGIBZAQMM-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.15
Rot. Bonds2

About 3-prop-2-enylpyrrole-2,5-dione

3-prop-2-enylpyrrole-2,5-dione (PubChem CID 19422330) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 3-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-prop-2-enylpyrrole-2,5-dione
PubChem CID19422330
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name3-prop-2-enylpyrrole-2,5-dione
SMILESC=CCC1=CC(=O)NC1=O
InChIInChI=1S/C7H7NO2/c1-2-3-5-4-6(9)8-7(5)10/h2,4H,1,3H2,(H,8,9,10)
InChIKeyZCEFNLGIBZAQMM-UHFFFAOYSA-N
XLogP0.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-prop-2-enylpyrrole-2,5-dione (CID 19422330) is 3-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-prop-2-enylpyrrole-2,5-dione is C=CCC1=CC(=O)NC1=O.
What is the InChIKey of 3-prop-2-enylpyrrole-2,5-dione?
The InChIKey is ZCEFNLGIBZAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-2-3-5-4-6(9)8-7(5)10/h2,4H,1,3H2,(H,8,9,10).
What are the key properties of 3-prop-2-enylpyrrole-2,5-dione?
3-prop-2-enylpyrrole-2,5-dione has a molecular weight of 137.14 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 19422330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).