(2E)-2-(1-bromopentylidene)cyclopentan-1-one

C10H15BrO — CID 134922738

IUPAC(2E)-2-(1-bromopentylidene)cyclopentan-1-one
SMILESCCCC/C(Br)=C1/CCCC1=O
InChIInChI=1S/C10H15BrO/c1-2-3-6-9(11)8-5-4-7-10(8)12/h2-7H2,1H3/b9-8+
InChIKeyOKHXOAZQESAUDA-CMDGGOBGSA-N
MW231.13 g/mol
LogP3.58
Rot. Bonds3

About (2E)-2-(1-bromopentylidene)cyclopentan-1-one

(2E)-2-(1-bromopentylidene)cyclopentan-1-one (PubChem CID 134922738) has the molecular formula C10H15BrO and a molecular weight of 231.13 g/mol. Its IUPAC name is (2E)-2-(1-bromopentylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-(1-bromopentylidene)cyclopentan-1-one
PubChem CID134922738
Molecular FormulaC10H15BrO
Molecular Weight231.13 g/mol
Exact Mass230.03
IUPAC Name(2E)-2-(1-bromopentylidene)cyclopentan-1-one
SMILESCCCC/C(Br)=C1/CCCC1=O
InChIInChI=1S/C10H15BrO/c1-2-3-6-9(11)8-5-4-7-10(8)12/h2-7H2,1H3/b9-8+
InChIKeyOKHXOAZQESAUDA-CMDGGOBGSA-N
XLogP3.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-bromopentylidene)cyclopentan-1-one?
The IUPAC name of (2E)-2-(1-bromopentylidene)cyclopentan-1-one (CID 134922738) is (2E)-2-(1-bromopentylidene)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-(1-bromopentylidene)cyclopentan-1-one?
The canonical SMILES for (2E)-2-(1-bromopentylidene)cyclopentan-1-one is CCCC/C(Br)=C1/CCCC1=O.
What is the InChIKey of (2E)-2-(1-bromopentylidene)cyclopentan-1-one?
The InChIKey is OKHXOAZQESAUDA-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H15BrO/c1-2-3-6-9(11)8-5-4-7-10(8)12/h2-7H2,1H3/b9-8+.
What are the key properties of (2E)-2-(1-bromopentylidene)cyclopentan-1-one?
(2E)-2-(1-bromopentylidene)cyclopentan-1-one has a molecular weight of 231.13 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-bromopentylidene)cyclopentan-1-one is sourced from PubChem (CID 134922738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).