3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

C11H13NO3 — CID 54676225

IUPAC3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C11H13NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)12-11(9)15/h2-5H2,1H3,(H2,12,14,15)
InChIKeyFILDTPHSZCHKAV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.16
Rot. Bonds1

About 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one

3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 54676225) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID54676225
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCC(=O)c1c(O)c2c([nH]c1=O)CCCC2
InChIInChI=1S/C11H13NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)12-11(9)15/h2-5H2,1H3,(H2,12,14,15)
InChIKeyFILDTPHSZCHKAV-UHFFFAOYSA-N
XLogP1.16
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 54676225) is 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is CC(=O)c1c(O)c2c([nH]c1=O)CCCC2.
What is the InChIKey of 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is FILDTPHSZCHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6(13)9-10(14)7-4-2-3-5-8(7)12-11(9)15/h2-5H2,1H3,(H2,12,14,15).
What are the key properties of 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one?
3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-hydroxy-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 54676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).