5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one

C15H17NO2 — CID 54544325

IUPAC5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one
SMILESCC=CCOc1ccc(C)c2[nH]c(=O)c(C)cc12
InChIInChI=1S/C15H17NO2/c1-4-5-8-18-13-7-6-10(2)14-12(13)9-11(3)15(17)16-14/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyZFMJXLWFWLBHOH-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.10
Rot. Bonds3

About 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one

5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one (PubChem CID 54544325) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one
PubChem CID54544325
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one
SMILESCC=CCOc1ccc(C)c2[nH]c(=O)c(C)cc12
InChIInChI=1S/C15H17NO2/c1-4-5-8-18-13-7-6-10(2)14-12(13)9-11(3)15(17)16-14/h4-7,9H,8H2,1-3H3,(H,16,17)
InChIKeyZFMJXLWFWLBHOH-UHFFFAOYSA-N
XLogP3.10
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one (CID 54544325) is 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one is CC=CCOc1ccc(C)c2[nH]c(=O)c(C)cc12.
What is the InChIKey of 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one?
The InChIKey is ZFMJXLWFWLBHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-5-8-18-13-7-6-10(2)14-12(13)9-11(3)15(17)16-14/h4-7,9H,8H2,1-3H3,(H,16,17).
What are the key properties of 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one?
5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enoxy-3,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 54544325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).