5-acetyl-1H-quinolin-2-one

C11H9NO2 — CID 13375477

IUPAC5-acetyl-1H-quinolin-2-one
SMILESCC(=O)c1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C11H9NO2/c1-7(13)8-3-2-4-10-9(8)5-6-11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKeyYSMZGVTTZUVEBW-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.73
Rot. Bonds1

About 5-acetyl-1H-quinolin-2-one

5-acetyl-1H-quinolin-2-one (PubChem CID 13375477) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-acetyl-1H-quinolin-2-one.

Molecular Properties

Compound Name5-acetyl-1H-quinolin-2-one
PubChem CID13375477
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name5-acetyl-1H-quinolin-2-one
SMILESCC(=O)c1cccc2[nH]c(=O)ccc12
InChIInChI=1S/C11H9NO2/c1-7(13)8-3-2-4-10-9(8)5-6-11(14)12-10/h2-6H,1H3,(H,12,14)
InChIKeyYSMZGVTTZUVEBW-UHFFFAOYSA-N
XLogP1.73
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1H-quinolin-2-one?
The IUPAC name of 5-acetyl-1H-quinolin-2-one (CID 13375477) is 5-acetyl-1H-quinolin-2-one.
What is the SMILES notation for 5-acetyl-1H-quinolin-2-one?
The canonical SMILES for 5-acetyl-1H-quinolin-2-one is CC(=O)c1cccc2[nH]c(=O)ccc12.
What is the InChIKey of 5-acetyl-1H-quinolin-2-one?
The InChIKey is YSMZGVTTZUVEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7(13)8-3-2-4-10-9(8)5-6-11(14)12-10/h2-6H,1H3,(H,12,14).
What are the key properties of 5-acetyl-1H-quinolin-2-one?
5-acetyl-1H-quinolin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1H-quinolin-2-one is sourced from PubChem (CID 13375477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).