2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

C9H11BrN2O2 — CID 130643113

IUPAC2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESC=C(Br)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C9H11BrN2O2/c1-5(10)4-12-9(14)7(3)6(2)8(13)11-12/h1,4H2,2-3H3,(H,11,13)
InChIKeyFFNDSTCXLZSHRD-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione

2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 130643113) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID130643113
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESC=C(Br)Cn1[nH]c(=O)c(C)c(C)c1=O
InChIInChI=1S/C9H11BrN2O2/c1-5(10)4-12-9(14)7(3)6(2)8(13)11-12/h1,4H2,2-3H3,(H,11,13)
InChIKeyFFNDSTCXLZSHRD-UHFFFAOYSA-N
XLogP1.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 130643113) is 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is C=C(Br)Cn1[nH]c(=O)c(C)c(C)c1=O.
What is the InChIKey of 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is FFNDSTCXLZSHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5(10)4-12-9(14)7(3)6(2)8(13)11-12/h1,4H2,2-3H3,(H,11,13).
What are the key properties of 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 259.10 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoprop-2-enyl)-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 130643113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).