7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one

C12H12BrNO — CID 68858984

IUPAC7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one
SMILESC=CCN1CCC(=O)c2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO/c1-2-6-14-7-5-12(15)10-4-3-9(13)8-11(10)14/h2-4,8H,1,5-7H2
InChIKeyVILWSRGELAYNMK-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.03
Rot. Bonds2

About 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one

7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one (PubChem CID 68858984) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one
PubChem CID68858984
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one
SMILESC=CCN1CCC(=O)c2ccc(Br)cc21
InChIInChI=1S/C12H12BrNO/c1-2-6-14-7-5-12(15)10-4-3-9(13)8-11(10)14/h2-4,8H,1,5-7H2
InChIKeyVILWSRGELAYNMK-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one (CID 68858984) is 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one is C=CCN1CCC(=O)c2ccc(Br)cc21.
What is the InChIKey of 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
The InChIKey is VILWSRGELAYNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-2-6-14-7-5-12(15)10-4-3-9(13)8-11(10)14/h2-4,8H,1,5-7H2.
What are the key properties of 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one?
7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one has a molecular weight of 266.14 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-prop-2-enyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 68858984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).