5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one

C10H13BrN2O — CID 103071702

IUPAC5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one
SMILESC=C(CNC)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O/c1-8(5-12-2)6-13-7-9(11)3-4-10(13)14/h3-4,7,12H,1,5-6H2,2H3
InChIKeyHSTKKZQXXHZIOM-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.39
Rot. Bonds4

About 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one

5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one (PubChem CID 103071702) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one
PubChem CID103071702
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one
SMILESC=C(CNC)Cn1cc(Br)ccc1=O
InChIInChI=1S/C10H13BrN2O/c1-8(5-12-2)6-13-7-9(11)3-4-10(13)14/h3-4,7,12H,1,5-6H2,2H3
InChIKeyHSTKKZQXXHZIOM-UHFFFAOYSA-N
XLogP1.39
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one (CID 103071702) is 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one is C=C(CNC)Cn1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one?
The InChIKey is HSTKKZQXXHZIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-8(5-12-2)6-13-7-9(11)3-4-10(13)14/h3-4,7,12H,1,5-6H2,2H3.
What are the key properties of 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one?
5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one has a molecular weight of 257.13 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(methylaminomethyl)prop-2-enyl]pyridin-2-one is sourced from PubChem (CID 103071702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).