3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione

C8H9NO2 — CID 89137080

IUPAC3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CCN1C(=O)CC(=C)C1=O
InChIInChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3H,1-2,4-5H2
InChIKeyIEWDMTGDRSSSIV-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.49
Rot. Bonds2

About 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione

3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione (PubChem CID 89137080) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione
PubChem CID89137080
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CCN1C(=O)CC(=C)C1=O
InChIInChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3H,1-2,4-5H2
InChIKeyIEWDMTGDRSSSIV-UHFFFAOYSA-N
XLogP0.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione (CID 89137080) is 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione is C=CCN1C(=O)CC(=C)C1=O.
What is the InChIKey of 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione?
The InChIKey is IEWDMTGDRSSSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-3-4-9-7(10)5-6(2)8(9)11/h3H,1-2,4-5H2.
What are the key properties of 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione?
3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione has a molecular weight of 151.16 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-prop-2-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 89137080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).