2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene

C13H11Br — CID 130219629

IUPAC2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene
SMILESBrC1Cc2ccc3ccccc3c2C1
InChIInChI=1S/C13H11Br/c14-11-7-10-6-5-9-3-1-2-4-12(9)13(10)8-11/h1-6,11H,7-8H2
InChIKeyWJVARJAGLOBXME-UHFFFAOYSA-N
MW247.13 g/mol
LogP3.70
Rot. Bonds

About 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene

2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene (PubChem CID 130219629) has the molecular formula C13H11Br and a molecular weight of 247.13 g/mol. Its IUPAC name is 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene
PubChem CID130219629
Molecular FormulaC13H11Br
Molecular Weight247.13 g/mol
Exact Mass246.00
IUPAC Name2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene
SMILESBrC1Cc2ccc3ccccc3c2C1
InChIInChI=1S/C13H11Br/c14-11-7-10-6-5-9-3-1-2-4-12(9)13(10)8-11/h1-6,11H,7-8H2
InChIKeyWJVARJAGLOBXME-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene (CID 130219629) is 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene is BrC1Cc2ccc3ccccc3c2C1.
What is the InChIKey of 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene?
The InChIKey is WJVARJAGLOBXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br/c14-11-7-10-6-5-9-3-1-2-4-12(9)13(10)8-11/h1-6,11H,7-8H2.
What are the key properties of 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene?
2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene has a molecular weight of 247.13 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,3-dihydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 130219629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).