4-(3-bromoprop-1-enyl)-1H-pyridin-2-one

C8H8BrNO — CID 169475021

IUPAC4-(3-bromoprop-1-enyl)-1H-pyridin-2-one
SMILESO=c1cc(C=CCBr)cc[nH]1
InChIInChI=1S/C8H8BrNO/c9-4-1-2-7-3-5-10-8(11)6-7/h1-3,5-6H,4H2,(H,10,11)
InChIKeyIOCQKBKWGLZBNL-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.78
Rot. Bonds2

About 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one

4-(3-bromoprop-1-enyl)-1H-pyridin-2-one (PubChem CID 169475021) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-1H-pyridin-2-one
PubChem CID169475021
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name4-(3-bromoprop-1-enyl)-1H-pyridin-2-one
SMILESO=c1cc(C=CCBr)cc[nH]1
InChIInChI=1S/C8H8BrNO/c9-4-1-2-7-3-5-10-8(11)6-7/h1-3,5-6H,4H2,(H,10,11)
InChIKeyIOCQKBKWGLZBNL-UHFFFAOYSA-N
XLogP1.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxo-1H-pyridin-4-yl)prop-2-enal
CID 169458694
3-(2-oxo-1H-pyridin-4-yl)prop-2-enenitrile
CID 70089991
4-[(E)-2-(4-tert-butylphenyl)ethenyl]-1H-pyridin-2-one
CID 82063327
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092
3-(3-bromoprop-1-enyl)benzaldehyde
CID 169475107
5-(3-bromoprop-1-enyl)-2-benzofuran-1,3-dione
CID 169476152
3-(3-bromoprop-1-enyl)phenanthrene-9,10-dione
CID 169476439
3-(3-bromoprop-1-enyl)-1H-pyridazin-6-one
CID 169474976
4-(3-bromoprop-1-enyl)-1,2-difluorobenzene
CID 4997890
1-[4-(3-bromoprop-1-enyl)-2-chlorophenyl]ethanone
CID 169475753
1-(3-bromoprop-1-enyl)-3-methylsulfanylbenzene
CID 169475048

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one?
The IUPAC name of 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one (CID 169475021) is 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one is O=c1cc(C=CCBr)cc[nH]1.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one?
The InChIKey is IOCQKBKWGLZBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-4-1-2-7-3-5-10-8(11)6-7/h1-3,5-6H,4H2,(H,10,11).
What are the key properties of 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one?
4-(3-bromoprop-1-enyl)-1H-pyridin-2-one has a molecular weight of 214.06 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-1H-pyridin-2-one is sourced from PubChem (CID 169475021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).