1-(2-bromocyclopenten-1-yl)hexan-1-one

C11H17BrO — CID 11086030

IUPAC1-(2-bromocyclopenten-1-yl)hexan-1-one
SMILESCCCCCC(=O)C1=C(Br)CCC1
InChIInChI=1S/C11H17BrO/c1-2-3-4-8-11(13)9-6-5-7-10(9)12/h2-8H2,1H3
InChIKeyZENTWXXQRGZZDX-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.97
Rot. Bonds5

About 1-(2-bromocyclopenten-1-yl)hexan-1-one

1-(2-bromocyclopenten-1-yl)hexan-1-one (PubChem CID 11086030) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is 1-(2-bromocyclopenten-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(2-bromocyclopenten-1-yl)hexan-1-one
PubChem CID11086030
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name1-(2-bromocyclopenten-1-yl)hexan-1-one
SMILESCCCCCC(=O)C1=C(Br)CCC1
InChIInChI=1S/C11H17BrO/c1-2-3-4-8-11(13)9-6-5-7-10(9)12/h2-8H2,1H3
InChIKeyZENTWXXQRGZZDX-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromocyclopenten-1-yl)hexan-1-one?
The IUPAC name of 1-(2-bromocyclopenten-1-yl)hexan-1-one (CID 11086030) is 1-(2-bromocyclopenten-1-yl)hexan-1-one.
What is the SMILES notation for 1-(2-bromocyclopenten-1-yl)hexan-1-one?
The canonical SMILES for 1-(2-bromocyclopenten-1-yl)hexan-1-one is CCCCCC(=O)C1=C(Br)CCC1.
What is the InChIKey of 1-(2-bromocyclopenten-1-yl)hexan-1-one?
The InChIKey is ZENTWXXQRGZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrO/c1-2-3-4-8-11(13)9-6-5-7-10(9)12/h2-8H2,1H3.
What are the key properties of 1-(2-bromocyclopenten-1-yl)hexan-1-one?
1-(2-bromocyclopenten-1-yl)hexan-1-one has a molecular weight of 245.16 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopenten-1-yl)hexan-1-one is sourced from PubChem (CID 11086030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).