4-(prop-2-enoxymethyl)-1H-quinolin-2-one

C13H13NO2 — CID 138967828

IUPAC4-(prop-2-enoxymethyl)-1H-quinolin-2-one
SMILESC=CCOCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-7-16-9-10-8-13(15)14-12-6-4-3-5-11(10)12/h2-6,8H,1,7,9H2,(H,14,15)
InChIKeyWTUQBUBFPMYENT-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.23
Rot. Bonds4

About 4-(prop-2-enoxymethyl)-1H-quinolin-2-one

4-(prop-2-enoxymethyl)-1H-quinolin-2-one (PubChem CID 138967828) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-(prop-2-enoxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(prop-2-enoxymethyl)-1H-quinolin-2-one
PubChem CID138967828
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name4-(prop-2-enoxymethyl)-1H-quinolin-2-one
SMILESC=CCOCc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-7-16-9-10-8-13(15)14-12-6-4-3-5-11(10)12/h2-6,8H,1,7,9H2,(H,14,15)
InChIKeyWTUQBUBFPMYENT-UHFFFAOYSA-N
XLogP2.23
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylquinolin-2-ol
CID 69088
2,4-Dihydroxyquinoline
CID 54680871
Flindersine
CID 68230
4-Ethoxycarbonyl-2-quinolone
CID 160782
4-Methoxy-3-(3-methyl-1,3-butadienyl)-2(1H)-quinolinone
CID 131752802
Methyl 3-methyl-2-oxo-1,2-dihydro-4-quinolinecarboxylate
CID 751540
4-(3-Methylbut-2-enoxy)quinolin-2-ol
CID 21770009
4-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester
CID 181636
Propyl 2-hydroxyquinoline-4-carboxylate
CID 649303
4-(cyclopentoxy)-3-propyl-1H-quinolin-2-one
CID 503368
butyl 2-oxo-1H-quinoline-4-carboxylate
CID 660495
4-(cyclobutylmethoxy)-6-fluoro-3-methyl-1H-quinolin-2-one
CID 3013146

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoxymethyl)-1H-quinolin-2-one?
The IUPAC name of 4-(prop-2-enoxymethyl)-1H-quinolin-2-one (CID 138967828) is 4-(prop-2-enoxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(prop-2-enoxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(prop-2-enoxymethyl)-1H-quinolin-2-one is C=CCOCc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-(prop-2-enoxymethyl)-1H-quinolin-2-one?
The InChIKey is WTUQBUBFPMYENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-7-16-9-10-8-13(15)14-12-6-4-3-5-11(10)12/h2-6,8H,1,7,9H2,(H,14,15).
What are the key properties of 4-(prop-2-enoxymethyl)-1H-quinolin-2-one?
4-(prop-2-enoxymethyl)-1H-quinolin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 138967828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).