(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one

C15H19NO — CID 6448119

IUPAC(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one
SMILESC/C=C(\C)C(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C15H19NO/c1-4-12(3)15(17)16-9-5-6-13-10-11(2)7-8-14(13)16/h4,7-8,10H,5-6,9H2,1-3H3/b12-4+
InChIKeyKPPVNWGJXFMGAM-UUILKARUSA-N
MW229.32 g/mol
LogP3.24
Rot. Bonds1

About (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one

(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one (PubChem CID 6448119) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one.

Molecular Properties

Compound Name(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one
PubChem CID6448119
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one
SMILESC/C=C(\C)C(=O)N1CCCc2cc(C)ccc21
InChIInChI=1S/C15H19NO/c1-4-12(3)15(17)16-9-5-6-13-10-11(2)7-8-14(13)16/h4,7-8,10H,5-6,9H2,1-3H3/b12-4+
InChIKeyKPPVNWGJXFMGAM-UUILKARUSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one?
The IUPAC name of (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one (CID 6448119) is (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one.
What is the SMILES notation for (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one?
The canonical SMILES for (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one is C/C=C(\C)C(=O)N1CCCc2cc(C)ccc21.
What is the InChIKey of (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one?
The InChIKey is KPPVNWGJXFMGAM-UUILKARUSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-12(3)15(17)16-9-5-6-13-10-11(2)7-8-14(13)16/h4,7-8,10H,5-6,9H2,1-3H3/b12-4+.
What are the key properties of (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one?
(E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)but-2-en-1-one is sourced from PubChem (CID 6448119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).