1-bromo-2-methylideneadamantane

C11H15Br — CID 15642463

IUPAC1-bromo-2-methylideneadamantane
SMILESC=C1C2CC3CC(C2)CC1(Br)C3
InChIInChI=1S/C11H15Br/c1-7-10-3-8-2-9(4-10)6-11(7,12)5-8/h8-10H,1-6H2
InChIKeyQDBSEAYNYJQQID-UHFFFAOYSA-N
MW227.14 g/mol
LogP3.52
Rot. Bonds

About 1-bromo-2-methylideneadamantane

1-bromo-2-methylideneadamantane (PubChem CID 15642463) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 1-bromo-2-methylideneadamantane.

Molecular Properties

Compound Name1-bromo-2-methylideneadamantane
PubChem CID15642463
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name1-bromo-2-methylideneadamantane
SMILESC=C1C2CC3CC(C2)CC1(Br)C3
InChIInChI=1S/C11H15Br/c1-7-10-3-8-2-9(4-10)6-11(7,12)5-8/h8-10H,1-6H2
InChIKeyQDBSEAYNYJQQID-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-methylideneadamantane 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 1-bromo-2-methylideneadamantane?
The IUPAC name of 1-bromo-2-methylideneadamantane (CID 15642463) is 1-bromo-2-methylideneadamantane.
What is the SMILES notation for 1-bromo-2-methylideneadamantane?
The canonical SMILES for 1-bromo-2-methylideneadamantane is C=C1C2CC3CC(C2)CC1(Br)C3.
What is the InChIKey of 1-bromo-2-methylideneadamantane?
The InChIKey is QDBSEAYNYJQQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-7-10-3-8-2-9(4-10)6-11(7,12)5-8/h8-10H,1-6H2.
What are the key properties of 1-bromo-2-methylideneadamantane?
1-bromo-2-methylideneadamantane has a molecular weight of 227.14 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylideneadamantane is sourced from PubChem (CID 15642463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).