(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one

C8H9BrO2 — CID 10104759

IUPAC(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
SMILESCOC1(C)C=CC(=O)/C1=C\Br
InChIInChI=1S/C8H9BrO2/c1-8(11-2)4-3-7(10)6(8)5-9/h3-5H,1-2H3/b6-5+
InChIKeyPLEUFKKYHBZURH-AATRIKPKSA-N
MW217.06 g/mol
LogP1.81
Rot. Bonds1

About (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one

(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one (PubChem CID 10104759) has the molecular formula C8H9BrO2 and a molecular weight of 217.06 g/mol. Its IUPAC name is (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
PubChem CID10104759
Molecular FormulaC8H9BrO2
Molecular Weight217.06 g/mol
Exact Mass215.98
IUPAC Name(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
SMILESCOC1(C)C=CC(=O)/C1=C\Br
InChIInChI=1S/C8H9BrO2/c1-8(11-2)4-3-7(10)6(8)5-9/h3-5H,1-2H3/b6-5+
InChIKeyPLEUFKKYHBZURH-AATRIKPKSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-(1-bromopentylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 9993429
chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10474469
chloro-[(1Z)-1-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 10477713
4-Methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
CID 10017253
(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 10243132
4-Ethenyl-4-methoxycyclopent-2-en-1-one
CID 71405933

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one (CID 10104759) is (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one is COC1(C)C=CC(=O)/C1=C\Br.
What is the InChIKey of (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one?
The InChIKey is PLEUFKKYHBZURH-AATRIKPKSA-N. The full InChI is InChI=1S/C8H9BrO2/c1-8(11-2)4-3-7(10)6(8)5-9/h3-5H,1-2H3/b6-5+.
What are the key properties of (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one?
(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one has a molecular weight of 217.06 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10104759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).