1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione

C13H15NO2 — CID 81104133

IUPAC1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESC/C=C/Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO2/c1-2-3-9-14-11-5-4-6-12(15)10(11)7-8-13(14)16/h2-3,7-8H,4-6,9H2,1H3/b3-2+
InChIKeyVWPIGTVMBDLXOJ-NSCUHMNNSA-N
MW217.27 g/mol
LogP1.94
Rot. Bonds2

About 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 81104133) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID81104133
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESC/C=C/Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C13H15NO2/c1-2-3-9-14-11-5-4-6-12(15)10(11)7-8-13(14)16/h2-3,7-8H,4-6,9H2,1H3/b3-2+
InChIKeyVWPIGTVMBDLXOJ-NSCUHMNNSA-N
XLogP1.94
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 81104133) is 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione is C/C=C/Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is VWPIGTVMBDLXOJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-9-14-11-5-4-6-12(15)10(11)7-8-13(14)16/h2-3,7-8H,4-6,9H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 217.27 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 81104133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).