6-bromo-7,8-dihydro-3H-quinolin-2-one

C9H8BrNO — CID 69104978

IUPAC6-bromo-7,8-dihydro-3H-quinolin-2-one
SMILESO=C1CC=C2C=C(Br)CCC2=N1
InChIInChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1,5H,2-4H2
InChIKeySMXIICNFRVZIIX-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.36
Rot. Bonds

About 6-bromo-7,8-dihydro-3H-quinolin-2-one

6-bromo-7,8-dihydro-3H-quinolin-2-one (PubChem CID 69104978) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 6-bromo-7,8-dihydro-3H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-7,8-dihydro-3H-quinolin-2-one
PubChem CID69104978
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name6-bromo-7,8-dihydro-3H-quinolin-2-one
SMILESO=C1CC=C2C=C(Br)CCC2=N1
InChIInChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1,5H,2-4H2
InChIKeySMXIICNFRVZIIX-UHFFFAOYSA-N
XLogP2.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7,8-dihydro-3H-quinolin-2-one?
The IUPAC name of 6-bromo-7,8-dihydro-3H-quinolin-2-one (CID 69104978) is 6-bromo-7,8-dihydro-3H-quinolin-2-one.
What is the SMILES notation for 6-bromo-7,8-dihydro-3H-quinolin-2-one?
The canonical SMILES for 6-bromo-7,8-dihydro-3H-quinolin-2-one is O=C1CC=C2C=C(Br)CCC2=N1.
What is the InChIKey of 6-bromo-7,8-dihydro-3H-quinolin-2-one?
The InChIKey is SMXIICNFRVZIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1,5H,2-4H2.
What are the key properties of 6-bromo-7,8-dihydro-3H-quinolin-2-one?
6-bromo-7,8-dihydro-3H-quinolin-2-one has a molecular weight of 226.07 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7,8-dihydro-3H-quinolin-2-one is sourced from PubChem (CID 69104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).