8-methyl-6-prop-2-enoxy-1H-quinolin-2-one

C13H13NO2 — CID 23369721

IUPAC8-methyl-6-prop-2-enoxy-1H-quinolin-2-one
SMILESC=CCOc1cc(C)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H13NO2/c1-3-6-16-11-7-9(2)13-10(8-11)4-5-12(15)14-13/h3-5,7-8H,1,6H2,2H3,(H,14,15)
InChIKeyWBELVSNTWIYFSY-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.40
Rot. Bonds3

About 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one

8-methyl-6-prop-2-enoxy-1H-quinolin-2-one (PubChem CID 23369721) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-6-prop-2-enoxy-1H-quinolin-2-one
PubChem CID23369721
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name8-methyl-6-prop-2-enoxy-1H-quinolin-2-one
SMILESC=CCOc1cc(C)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C13H13NO2/c1-3-6-16-11-7-9(2)13-10(8-11)4-5-12(15)14-13/h3-5,7-8H,1,6H2,2H3,(H,14,15)
InChIKeyWBELVSNTWIYFSY-UHFFFAOYSA-N
XLogP2.40
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.40
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 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one?
The IUPAC name of 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one (CID 23369721) is 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one is C=CCOc1cc(C)c2[nH]c(=O)ccc2c1.
What is the InChIKey of 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one?
The InChIKey is WBELVSNTWIYFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-3-6-16-11-7-9(2)13-10(8-11)4-5-12(15)14-13/h3-5,7-8H,1,6H2,2H3,(H,14,15).
What are the key properties of 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one?
8-methyl-6-prop-2-enoxy-1H-quinolin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-prop-2-enoxy-1H-quinolin-2-one is sourced from PubChem (CID 23369721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).