(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium

C10H7BrORh — CID 166448024

IUPAC(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium
SMILESO=C1CCc2ccc(Br)cc2C1=[Rh]
InChIInChI=1S/C10H7BrO.Rh/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1,3,5H,2,4H2;
InChIKeyISOACFVVGUXJHT-UHFFFAOYSA-N
MW325.98 g/mol
LogP2.03
Rot. Bonds

About (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium

(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium (PubChem CID 166448024) has the molecular formula C10H7BrORh and a molecular weight of 325.98 g/mol. Its IUPAC name is (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium.

Molecular Properties

Compound Name(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium
PubChem CID166448024
Molecular FormulaC10H7BrORh
Molecular Weight325.98 g/mol
Exact Mass324.87
IUPAC Name(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium
SMILESO=C1CCc2ccc(Br)cc2C1=[Rh]
InChIInChI=1S/C10H7BrO.Rh/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1,3,5H,2,4H2;
InChIKeyISOACFVVGUXJHT-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.98
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium?
The IUPAC name of (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium (CID 166448024) is (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium.
What is the SMILES notation for (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium?
The canonical SMILES for (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium is O=C1CCc2ccc(Br)cc2C1=[Rh].
What is the InChIKey of (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium?
The InChIKey is ISOACFVVGUXJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO.Rh/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;/h1,3,5H,2,4H2;.
What are the key properties of (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium?
(7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium has a molecular weight of 325.98 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-oxo-3,4-dihydronaphthalen-1-ylidene)rhodium is sourced from PubChem (CID 166448024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).