1-butyl-3-methylidenequinoline-2,4-dione

C14H15NO2 — CID 59034241

IUPAC1-butyl-3-methylidenequinoline-2,4-dione
SMILESC=C1C(=O)c2ccccc2N(CCCC)C1=O
InChIInChI=1S/C14H15NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13(16)10(2)14(15)17/h5-8H,2-4,9H2,1H3
InChIKeyYYJKSBWCQNOUNL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.57
Rot. Bonds3

About 1-butyl-3-methylidenequinoline-2,4-dione

1-butyl-3-methylidenequinoline-2,4-dione (PubChem CID 59034241) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-butyl-3-methylidenequinoline-2,4-dione.

Molecular Properties

Compound Name1-butyl-3-methylidenequinoline-2,4-dione
PubChem CID59034241
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-butyl-3-methylidenequinoline-2,4-dione
SMILESC=C1C(=O)c2ccccc2N(CCCC)C1=O
InChIInChI=1S/C14H15NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13(16)10(2)14(15)17/h5-8H,2-4,9H2,1H3
InChIKeyYYJKSBWCQNOUNL-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylidenequinoline-2,4-dione?
The IUPAC name of 1-butyl-3-methylidenequinoline-2,4-dione (CID 59034241) is 1-butyl-3-methylidenequinoline-2,4-dione.
What is the SMILES notation for 1-butyl-3-methylidenequinoline-2,4-dione?
The canonical SMILES for 1-butyl-3-methylidenequinoline-2,4-dione is C=C1C(=O)c2ccccc2N(CCCC)C1=O.
What is the InChIKey of 1-butyl-3-methylidenequinoline-2,4-dione?
The InChIKey is YYJKSBWCQNOUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-4-9-15-12-8-6-5-7-11(12)13(16)10(2)14(15)17/h5-8H,2-4,9H2,1H3.
What are the key properties of 1-butyl-3-methylidenequinoline-2,4-dione?
1-butyl-3-methylidenequinoline-2,4-dione has a molecular weight of 229.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylidenequinoline-2,4-dione is sourced from PubChem (CID 59034241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).