6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine

C11H12BrNO — CID 164675177

IUPAC6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine
SMILESBrCC1CCC(c2ccccc2)=NO1
InChIInChI=1S/C11H12BrNO/c12-8-10-6-7-11(13-14-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyHXSDRMJCNFBQJT-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.96
Rot. Bonds2

About 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine

6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine (PubChem CID 164675177) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine
PubChem CID164675177
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine
SMILESBrCC1CCC(c2ccccc2)=NO1
InChIInChI=1S/C11H12BrNO/c12-8-10-6-7-11(13-14-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyHXSDRMJCNFBQJT-UHFFFAOYSA-N
XLogP2.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine?
The IUPAC name of 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine (CID 164675177) is 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine is BrCC1CCC(c2ccccc2)=NO1.
What is the InChIKey of 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine?
The InChIKey is HXSDRMJCNFBQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-8-10-6-7-11(13-14-10)9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine?
6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine has a molecular weight of 254.13 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-phenyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 164675177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).