4-acetyl-4aH-quinolin-2-one

C11H9NO2 — CID 78199584

IUPAC4-acetyl-4aH-quinolin-2-one
SMILESCC(=O)C1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C11H9NO2/c1-7(13)9-6-11(14)12-10-5-3-2-4-8(9)10/h2-6,8H,1H3
InChIKeyWEHYIPIZXHJEHY-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.23
Rot. Bonds1

About 4-acetyl-4aH-quinolin-2-one

4-acetyl-4aH-quinolin-2-one (PubChem CID 78199584) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-acetyl-4aH-quinolin-2-one.

Molecular Properties

Compound Name4-acetyl-4aH-quinolin-2-one
PubChem CID78199584
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name4-acetyl-4aH-quinolin-2-one
SMILESCC(=O)C1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C11H9NO2/c1-7(13)9-6-11(14)12-10-5-3-2-4-8(9)10/h2-6,8H,1H3
InChIKeyWEHYIPIZXHJEHY-UHFFFAOYSA-N
XLogP1.23
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4aH-quinolin-2-one?
The IUPAC name of 4-acetyl-4aH-quinolin-2-one (CID 78199584) is 4-acetyl-4aH-quinolin-2-one.
What is the SMILES notation for 4-acetyl-4aH-quinolin-2-one?
The canonical SMILES for 4-acetyl-4aH-quinolin-2-one is CC(=O)C1=CC(=O)N=C2C=CC=CC12.
What is the InChIKey of 4-acetyl-4aH-quinolin-2-one?
The InChIKey is WEHYIPIZXHJEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-7(13)9-6-11(14)12-10-5-3-2-4-8(9)10/h2-6,8H,1H3.
What are the key properties of 4-acetyl-4aH-quinolin-2-one?
4-acetyl-4aH-quinolin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4aH-quinolin-2-one is sourced from PubChem (CID 78199584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).