4-(bromomethylidene)cyclohexan-1-one

C7H9BrO — CID 102491323

IUPAC4-(bromomethylidene)cyclohexan-1-one
SMILESO=C1CCC(=CBr)CC1
InChIInChI=1S/C7H9BrO/c8-5-6-1-3-7(9)4-2-6/h5H,1-4H2
InChIKeyWGHKJIUZTOPBJZ-UHFFFAOYSA-N
MW189.05 g/mol
LogP2.41
Rot. Bonds

About 4-(bromomethylidene)cyclohexan-1-one

4-(bromomethylidene)cyclohexan-1-one (PubChem CID 102491323) has the molecular formula C7H9BrO and a molecular weight of 189.05 g/mol. Its IUPAC name is 4-(bromomethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name4-(bromomethylidene)cyclohexan-1-one
PubChem CID102491323
Molecular FormulaC7H9BrO
Molecular Weight189.05 g/mol
Exact Mass187.98
IUPAC Name4-(bromomethylidene)cyclohexan-1-one
SMILESO=C1CCC(=CBr)CC1
InChIInChI=1S/C7H9BrO/c8-5-6-1-3-7(9)4-2-6/h5H,1-4H2
InChIKeyWGHKJIUZTOPBJZ-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethylidene)cyclohexan-1-one?
The IUPAC name of 4-(bromomethylidene)cyclohexan-1-one (CID 102491323) is 4-(bromomethylidene)cyclohexan-1-one.
What is the SMILES notation for 4-(bromomethylidene)cyclohexan-1-one?
The canonical SMILES for 4-(bromomethylidene)cyclohexan-1-one is O=C1CCC(=CBr)CC1.
What is the InChIKey of 4-(bromomethylidene)cyclohexan-1-one?
The InChIKey is WGHKJIUZTOPBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO/c8-5-6-1-3-7(9)4-2-6/h5H,1-4H2.
What are the key properties of 4-(bromomethylidene)cyclohexan-1-one?
4-(bromomethylidene)cyclohexan-1-one has a molecular weight of 189.05 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethylidene)cyclohexan-1-one is sourced from PubChem (CID 102491323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).