2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one

C9H11BrN2O — CID 65008413

IUPAC2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(CBr)CC1
InChIInChI=1S/C9H11BrN2O/c10-6-9(3-4-9)7-12-8(13)2-1-5-11-12/h1-2,5H,3-4,6-7H2
InChIKeyFJLXGUZXYZTCSD-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.42
Rot. Bonds3

About 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one

2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one (PubChem CID 65008413) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one
PubChem CID65008413
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESO=c1cccnn1CC1(CBr)CC1
InChIInChI=1S/C9H11BrN2O/c10-6-9(3-4-9)7-12-8(13)2-1-5-11-12/h1-2,5H,3-4,6-7H2
InChIKeyFJLXGUZXYZTCSD-UHFFFAOYSA-N
XLogP1.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one (CID 65008413) is 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one is O=c1cccnn1CC1(CBr)CC1.
What is the InChIKey of 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one?
The InChIKey is FJLXGUZXYZTCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-6-9(3-4-9)7-12-8(13)2-1-5-11-12/h1-2,5H,3-4,6-7H2.
What are the key properties of 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one?
2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one has a molecular weight of 243.10 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(bromomethyl)cyclopropyl]methyl]pyridazin-3-one is sourced from PubChem (CID 65008413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).