(5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one

C10H13BrO2 — CID 11770695

IUPAC(5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one
SMILESCCCC/C=C1\OC(=O)C(Br)=C1C
InChIInChI=1S/C10H13BrO2/c1-3-4-5-6-8-7(2)9(11)10(12)13-8/h6H,3-5H2,1-2H3/b8-6-
InChIKeyDFRCPGRAVGJOSZ-VURMDHGXSA-N
MW245.12 g/mol
LogP3.29
Rot. Bonds3

About (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one

(5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one (PubChem CID 11770695) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one.

Molecular Properties

Compound Name(5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one
PubChem CID11770695
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name(5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one
SMILESCCCC/C=C1\OC(=O)C(Br)=C1C
InChIInChI=1S/C10H13BrO2/c1-3-4-5-6-8-7(2)9(11)10(12)13-8/h6H,3-5H2,1-2H3/b8-6-
InChIKeyDFRCPGRAVGJOSZ-VURMDHGXSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one?
The IUPAC name of (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one (CID 11770695) is (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one.
What is the SMILES notation for (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one?
The canonical SMILES for (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one is CCCC/C=C1\OC(=O)C(Br)=C1C.
What is the InChIKey of (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one?
The InChIKey is DFRCPGRAVGJOSZ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-3-4-5-6-8-7(2)9(11)10(12)13-8/h6H,3-5H2,1-2H3/b8-6-.
What are the key properties of (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one?
(5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one has a molecular weight of 245.12 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-bromo-4-methyl-5-pentylidenefuran-2-one is sourced from PubChem (CID 11770695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).