3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

C12H15NO2 — CID 126538655

IUPAC3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H15NO2/c1-5-7-10-9(6-2)11(14)13(8(3)4)12(10)15/h5-8H,2H2,1,3-4H3/b7-5-
InChIKeyZCGYDVZKBKZPQL-ALCCZGGFSA-N
MW205.26 g/mol
LogP1.82
Rot. Bonds3

About 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (PubChem CID 126538655) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
PubChem CID126538655
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC=CC1=C(/C=C\C)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H15NO2/c1-5-7-10-9(6-2)11(14)13(8(3)4)12(10)15/h5-8H,2H2,1,3-4H3/b7-5-
InChIKeyZCGYDVZKBKZPQL-ALCCZGGFSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.82
H-Bond Donors ≤ 50
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-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The IUPAC name of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (CID 126538655) is 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The canonical SMILES for 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is C=CC1=C(/C=C\C)C(=O)N(C(C)C)C1=O.
What is the InChIKey of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The InChIKey is ZCGYDVZKBKZPQL-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H15NO2/c1-5-7-10-9(6-2)11(14)13(8(3)4)12(10)15/h5-8H,2H2,1,3-4H3/b7-5-.
What are the key properties of 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-propan-2-yl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 126538655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).