6-acetyl-3,4-dihydro-1H-quinolin-2-one

C11H11NO2 — CID 13369754

IUPAC6-acetyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO2/c1-7(13)8-2-4-10-9(6-8)3-5-11(14)12-10/h2,4,6H,3,5H2,1H3,(H,12,14)
InChIKeyFXPPYJRCOQZMIL-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.77
Rot. Bonds1

About 6-acetyl-3,4-dihydro-1H-quinolin-2-one

6-acetyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13369754) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 6-acetyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-acetyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID13369754
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name6-acetyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C11H11NO2/c1-7(13)8-2-4-10-9(6-8)3-5-11(14)12-10/h2,4,6H,3,5H2,1H3,(H,12,14)
InChIKeyFXPPYJRCOQZMIL-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-acetyl-3,4-dihydro-1H-quinolin-2-one (CID 13369754) is 6-acetyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-acetyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-acetyl-3,4-dihydro-1H-quinolin-2-one is CC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-acetyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FXPPYJRCOQZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-7(13)8-2-4-10-9(6-8)3-5-11(14)12-10/h2,4,6H,3,5H2,1H3,(H,12,14).
What are the key properties of 6-acetyl-3,4-dihydro-1H-quinolin-2-one?
6-acetyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 189.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13369754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).