4-(dibromomethylidene)cyclohexan-1-one

C7H8Br2O — CID 11482547

IUPAC4-(dibromomethylidene)cyclohexan-1-one
SMILESO=C1CCC(=C(Br)Br)CC1
InChIInChI=1S/C7H8Br2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H2
InChIKeySRNRRBXXXKOJHW-UHFFFAOYSA-N
MW267.95 g/mol
LogP3.13
Rot. Bonds

About 4-(dibromomethylidene)cyclohexan-1-one

4-(dibromomethylidene)cyclohexan-1-one (PubChem CID 11482547) has the molecular formula C7H8Br2O and a molecular weight of 267.95 g/mol. Its IUPAC name is 4-(dibromomethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name4-(dibromomethylidene)cyclohexan-1-one
PubChem CID11482547
Molecular FormulaC7H8Br2O
Molecular Weight267.95 g/mol
Exact Mass265.89
IUPAC Name4-(dibromomethylidene)cyclohexan-1-one
SMILESO=C1CCC(=C(Br)Br)CC1
InChIInChI=1S/C7H8Br2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H2
InChIKeySRNRRBXXXKOJHW-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.95
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(dibromomethylidene)cyclohexan-1-one?
The IUPAC name of 4-(dibromomethylidene)cyclohexan-1-one (CID 11482547) is 4-(dibromomethylidene)cyclohexan-1-one.
What is the SMILES notation for 4-(dibromomethylidene)cyclohexan-1-one?
The canonical SMILES for 4-(dibromomethylidene)cyclohexan-1-one is O=C1CCC(=C(Br)Br)CC1.
What is the InChIKey of 4-(dibromomethylidene)cyclohexan-1-one?
The InChIKey is SRNRRBXXXKOJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4H2.
What are the key properties of 4-(dibromomethylidene)cyclohexan-1-one?
4-(dibromomethylidene)cyclohexan-1-one has a molecular weight of 267.95 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibromomethylidene)cyclohexan-1-one is sourced from PubChem (CID 11482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).