8aH-quinolin-3-one

C9H7NO — CID 70515343

IUPAC8aH-quinolin-3-one
SMILESO=C1C=NC2C=CC=CC2=C1
InChIInChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,9H
InChIKeyLXCWBMBXVIZSFX-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.06
Rot. Bonds

About 8aH-quinolin-3-one

8aH-quinolin-3-one (PubChem CID 70515343) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 8aH-quinolin-3-one.

Molecular Properties

Compound Name8aH-quinolin-3-one
PubChem CID70515343
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name8aH-quinolin-3-one
SMILESO=C1C=NC2C=CC=CC2=C1
InChIInChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,9H
InChIKeyLXCWBMBXVIZSFX-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinolin-3-one
CID 19958894
Quinolin-3(5H)-one
CID 20454005
Isoquinoline-7-one
CID 67245344
7H-isoquinolin-6-one
CID 123935586
Isoquinoline-3,7-dione
CID 129872515
8aH-quinolin-8-one
CID 13507518
4aH-acridin-2-one
CID 13507519
2-Benzazepin-4-one
CID 19763352
Quinolin-6(2H)-one
CID 19896809
Isoquinolin-7(1H)-one
CID 22098003
Cyclopenta[g]quinolin-3-one
CID 57158479
quinolin-3(5H)-one hydrochloride
CID 70514530

Frequently Asked Questions

What is the IUPAC name of 8aH-quinolin-3-one?
The IUPAC name of 8aH-quinolin-3-one (CID 70515343) is 8aH-quinolin-3-one.
What is the SMILES notation for 8aH-quinolin-3-one?
The canonical SMILES for 8aH-quinolin-3-one is O=C1C=NC2C=CC=CC2=C1.
What is the InChIKey of 8aH-quinolin-3-one?
The InChIKey is LXCWBMBXVIZSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,9H.
What are the key properties of 8aH-quinolin-3-one?
8aH-quinolin-3-one has a molecular weight of 145.16 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-quinolin-3-one is sourced from PubChem (CID 70515343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).