1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione

C14H17NO2 — CID 10105297

IUPAC1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)=CCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-10(2)8-9-15-12-4-3-5-13(16)11(12)6-7-14(15)17/h6-8H,3-5,9H2,1-2H3
InChIKeyJHBYKHOQCUGISC-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.33
Rot. Bonds2

About 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione

1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 10105297) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID10105297
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCC(C)=CCn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C14H17NO2/c1-10(2)8-9-15-12-4-3-5-13(16)11(12)6-7-14(15)17/h6-8H,3-5,9H2,1-2H3
InChIKeyJHBYKHOQCUGISC-UHFFFAOYSA-N
XLogP2.33
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.33
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-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione (CID 10105297) is 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione is CC(C)=CCn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is JHBYKHOQCUGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)8-9-15-12-4-3-5-13(16)11(12)6-7-14(15)17/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione?
1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 231.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 10105297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).