2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one

C11H15BrN2O — CID 106548498

IUPAC2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC2(CBr)CCC2)c(=O)c1
InChIInChI=1S/C11H15BrN2O/c1-9-5-10(15)14(13-6-9)8-11(7-12)3-2-4-11/h5-6H,2-4,7-8H2,1H3
InChIKeySYGZPJAHJBLMEF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.12
Rot. Bonds3

About 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one

2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one (PubChem CID 106548498) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one
PubChem CID106548498
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC2(CBr)CCC2)c(=O)c1
InChIInChI=1S/C11H15BrN2O/c1-9-5-10(15)14(13-6-9)8-11(7-12)3-2-4-11/h5-6H,2-4,7-8H2,1H3
InChIKeySYGZPJAHJBLMEF-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(Bromomethyl)cyclobutyl]methyl]pyridazin-3-one
CID 65007777
2-[2-(Bromomethyl)pentyl]pyridazin-3-one
CID 65010693
2-(5-Bromopentyl)-5-methylpyridazin-3-one
CID 106548469
2-[[1-(Bromomethyl)cyclopropyl]methyl]-5-methylpyridazin-3-one
CID 106548471
2-[2-(Bromomethyl)-3-methylbutyl]-5-methylpyridazin-3-one
CID 106548472
2-[2-(Bromomethyl)butyl]-5-methylpyridazin-3-one
CID 106548473
2-[2-(Bromomethyl)pentyl]-5-methylpyridazin-3-one
CID 106548474
2-(9-Bromononyl)-5-methylpyridazin-3-one
CID 106548476
2-(3-Bromopropyl)-5-methylpyridazin-3-one
CID 106548478
2-[[1-(Bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one
CID 106548481
2-[2-(Bromomethyl)-2-ethylbutyl]-5-methylpyridazin-3-one
CID 106548482
2-[2-(Bromomethyl)-3,3-dimethylbutyl]-5-methylpyridazin-3-one
CID 106548487

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one (CID 106548498) is 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one is Cc1cnn(CC2(CBr)CCC2)c(=O)c1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one?
The InChIKey is SYGZPJAHJBLMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-9-5-10(15)14(13-6-9)8-11(7-12)3-2-4-11/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one?
2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one has a molecular weight of 271.16 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).