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

C12H17BrN2O — CID 106548481

IUPAC2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC2(CBr)CCCC2)c(=O)c1
InChIInChI=1S/C12H17BrN2O/c1-10-6-11(16)15(14-7-10)9-12(8-13)4-2-3-5-12/h6-7H,2-5,8-9H2,1H3
InChIKeyAVLGODZWXOXKRT-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.51
Rot. Bonds3

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

2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one (PubChem CID 106548481) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one
PubChem CID106548481
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC2(CBr)CCCC2)c(=O)c1
InChIInChI=1S/C12H17BrN2O/c1-10-6-11(16)15(14-7-10)9-12(8-13)4-2-3-5-12/h6-7H,2-5,8-9H2,1H3
InChIKeyAVLGODZWXOXKRT-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.51
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-[2-(Bromomethyl)-2-ethylbutyl]pyridazin-3-one
CID 64998991
2-[[1-(Bromomethyl)cyclopentyl]methyl]pyridazin-3-one
CID 65001434
2-[2-(Bromomethyl)-2-propylpentyl]pyridazin-3-one
CID 65005880
2-(5-Bromopentyl)-5-methylpyridazin-3-one
CID 106548469
2-[2-(Bromomethyl)pentyl]-5-methylpyridazin-3-one
CID 106548474
2-(9-Bromononyl)-5-methylpyridazin-3-one
CID 106548476
2-[2-(Bromomethyl)-2-ethylbutyl]-5-methylpyridazin-3-one
CID 106548482
2-[2-(Bromomethyl)-3,3-dimethylbutyl]-5-methylpyridazin-3-one
CID 106548487
2-[2-(Bromomethyl)-2-propylpentyl]-5-methylpyridazin-3-one
CID 106548490
2-[[1-(Bromomethyl)cyclohexyl]methyl]-5-methylpyridazin-3-one
CID 106548494
2-(5-Bromo-3-methylpentyl)-5-methylpyridazin-3-one
CID 106548495
2-[[1-(Bromomethyl)cyclobutyl]methyl]-5-methylpyridazin-3-one
CID 106548498

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one (CID 106548481) is 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one is Cc1cnn(CC2(CBr)CCCC2)c(=O)c1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one?
The InChIKey is AVLGODZWXOXKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-10-6-11(16)15(14-7-10)9-12(8-13)4-2-3-5-12/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one?
2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one has a molecular weight of 285.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopentyl]methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).