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

C9H8BrNO — CID 118255570

IUPAC7-bromo-7,8-dihydro-3H-quinolin-2-one
SMILESO=C1CC=C2C=CC(Br)CC2=N1
InChIInChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-3,7H,4-5H2
InChIKeyJRLCYABHNJRXGR-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.01
Rot. Bonds

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

7-bromo-7,8-dihydro-3H-quinolin-2-one (PubChem CID 118255570) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 7-bromo-7,8-dihydro-3H-quinolin-2-one.

Molecular Properties

Compound Name7-bromo-7,8-dihydro-3H-quinolin-2-one
PubChem CID118255570
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name7-bromo-7,8-dihydro-3H-quinolin-2-one
SMILESO=C1CC=C2C=CC(Br)CC2=N1
InChIInChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-3,7H,4-5H2
InChIKeyJRLCYABHNJRXGR-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-7,8-dihydro-3H-quinolin-2-one?
The IUPAC name of 7-bromo-7,8-dihydro-3H-quinolin-2-one (CID 118255570) is 7-bromo-7,8-dihydro-3H-quinolin-2-one.
What is the SMILES notation for 7-bromo-7,8-dihydro-3H-quinolin-2-one?
The canonical SMILES for 7-bromo-7,8-dihydro-3H-quinolin-2-one is O=C1CC=C2C=CC(Br)CC2=N1.
What is the InChIKey of 7-bromo-7,8-dihydro-3H-quinolin-2-one?
The InChIKey is JRLCYABHNJRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-3,7H,4-5H2.
What are the key properties of 7-bromo-7,8-dihydro-3H-quinolin-2-one?
7-bromo-7,8-dihydro-3H-quinolin-2-one has a molecular weight of 226.07 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-7,8-dihydro-3H-quinolin-2-one is sourced from PubChem (CID 118255570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).