(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene

C10H14BrNOSe — CID 11023729

IUPAC(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C1=NO[Se](Br)=C12
InChIInChI=1S/C10H14BrNOSe/c1-9(2)6-4-5-10(9,3)8-7(6)14(11)13-12-8/h6H,4-5H2,1-3H3/t6-,10+,14?/m1/s1
InChIKeyVIUBEQREVMXJAP-AEWZOGQFSA-N
MW323.09 g/mol
LogP2.47
Rot. Bonds

About (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene

(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 11023729) has the molecular formula C10H14BrNOSe and a molecular weight of 323.09 g/mol. Its IUPAC name is (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

Compound Name(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene
PubChem CID11023729
Molecular FormulaC10H14BrNOSe
Molecular Weight323.09 g/mol
Exact Mass322.94
IUPAC Name(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene
SMILESCC1(C)[C@@H]2CC[C@@]1(C)C1=NO[Se](Br)=C12
InChIInChI=1S/C10H14BrNOSe/c1-9(2)6-4-5-10(9,3)8-7(6)14(11)13-12-8/h6H,4-5H2,1-3H3/t6-,10+,14?/m1/s1
InChIKeyVIUBEQREVMXJAP-AEWZOGQFSA-N
XLogP2.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.09
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The IUPAC name of (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene (CID 11023729) is (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene.
What is the SMILES notation for (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The canonical SMILES for (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene is CC1(C)[C@@H]2CC[C@@]1(C)C1=NO[Se](Br)=C12.
What is the InChIKey of (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene?
The InChIKey is VIUBEQREVMXJAP-AEWZOGQFSA-N. The full InChI is InChI=1S/C10H14BrNOSe/c1-9(2)6-4-5-10(9,3)8-7(6)14(11)13-12-8/h6H,4-5H2,1-3H3/t6-,10+,14?/m1/s1.
What are the key properties of (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene?
(1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 323.09 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R)-3-bromo-7,10,10-trimethyl-4-oxa-3λ4-selena-5-azatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 11023729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).