4aH-quinolin-2-one

C9H7NO — CID 72541205

IUPAC4aH-quinolin-2-one
SMILESO=C1C=CC2C=CC=CC2=N1
InChIInChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-7H
InChIKeyRSRLQCKTLGJJFB-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.27
Rot. Bonds

About 4aH-quinolin-2-one

4aH-quinolin-2-one (PubChem CID 72541205) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4aH-quinolin-2-one.

Molecular Properties

Compound Name4aH-quinolin-2-one
PubChem CID72541205
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4aH-quinolin-2-one
SMILESO=C1C=CC2C=CC=CC2=N1
InChIInChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-7H
InChIKeyRSRLQCKTLGJJFB-UHFFFAOYSA-N
XLogP1.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indol-2-one
CID 17904787
1-Benzazepin-2-one
CID 20244764
Benzazoninone
CID 20269004
Cyclopenta[c]quinolin-4-one
CID 20502643
Quinoline-2,6-dione
CID 45039516
Carbonyl quinolinone
CID 71302596
Cyclopenta-(b)-pyridinone
CID 129707027
3-Fluoro-1-benzazepin-2-one
CID 87395462
4,5-Difluoro-3-methylidenequinolin-2-one
CID 174791263
Indenopyridone
CID 129789721
Cyclohepta[1,2-h]quinolinone
CID 138756899
6-fluoro-6H-quinolin-2-one
CID 71303965

Frequently Asked Questions

What is the IUPAC name of 4aH-quinolin-2-one?
The IUPAC name of 4aH-quinolin-2-one (CID 72541205) is 4aH-quinolin-2-one.
What is the SMILES notation for 4aH-quinolin-2-one?
The canonical SMILES for 4aH-quinolin-2-one is O=C1C=CC2C=CC=CC2=N1.
What is the InChIKey of 4aH-quinolin-2-one?
The InChIKey is RSRLQCKTLGJJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-7H.
What are the key properties of 4aH-quinolin-2-one?
4aH-quinolin-2-one has a molecular weight of 145.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4aH-quinolin-2-one is sourced from PubChem (CID 72541205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).