3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione

C7H9NO2 — CID 21217415

IUPAC3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
SMILESC/C=C/C1CC(=O)NC1=O
InChIInChI=1S/C7H9NO2/c1-2-3-5-4-6(9)8-7(5)10/h2-3,5H,4H2,1H3,(H,8,9,10)/b3-2+
InChIKeyGKKMLVLCXQTJCX-NSCUHMNNSA-N
MW139.15 g/mol
LogP0.23
Rot. Bonds1

About 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione

3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione (PubChem CID 21217415) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
PubChem CID21217415
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione
SMILESC/C=C/C1CC(=O)NC1=O
InChIInChI=1S/C7H9NO2/c1-2-3-5-4-6(9)8-7(5)10/h2-3,5H,4H2,1H3,(H,8,9,10)/b3-2+
InChIKeyGKKMLVLCXQTJCX-NSCUHMNNSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.23
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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Related Compounds

Dodecenylsuccinimide
CID 3015833
3-(Prop-2-en-1-yl)pyrrolidine-2,5-dione
CID 14694512
(4S)-3-ethylidene-4-methylpyrrolidine-2,5-dione
CID 131243894
SD 217595
CID 10466690
(Z)-3-Ethylidene-4-methyl-2,5-pyrrolidinedione
CID 71468111
Dihydrophthal-imide
CID 12211561
Vinylsuccinimide
CID 13782990
Isobutenylsuccinimide
CID 21257458
Hept-2-ene-5,6-dicarboximide
CID 67061088
2-Vinylphthalimide
CID 67539330
Isododecenylsuccinimide
CID 85524417
3-(Dodecenyl)pyrrolidine-2,5-dione
CID 6365395

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione (CID 21217415) is 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione is C/C=C/C1CC(=O)NC1=O.
What is the InChIKey of 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
The InChIKey is GKKMLVLCXQTJCX-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-3-5-4-6(9)8-7(5)10/h2-3,5H,4H2,1H3,(H,8,9,10)/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione?
3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione has a molecular weight of 139.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 21217415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).