2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine

C10H10BrNO — CID 151679409

IUPAC2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine
SMILESBrc1cccc(C2NCC=CO2)c1
InChIInChI=1S/C10H10BrNO/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-4,6-7,10,12H,5H2
InChIKeyRAFCWLKVFBSSRZ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.58
Rot. Bonds1

About 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine

2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine (PubChem CID 151679409) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine
PubChem CID151679409
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine
SMILESBrc1cccc(C2NCC=CO2)c1
InChIInChI=1S/C10H10BrNO/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-4,6-7,10,12H,5H2
InChIKeyRAFCWLKVFBSSRZ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine?
The IUPAC name of 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine (CID 151679409) is 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine.
What is the SMILES notation for 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine?
The canonical SMILES for 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine is Brc1cccc(C2NCC=CO2)c1.
What is the InChIKey of 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine?
The InChIKey is RAFCWLKVFBSSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-4,6-7,10,12H,5H2.
What are the key properties of 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine?
2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine has a molecular weight of 240.10 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3,4-dihydro-2H-1,3-oxazine is sourced from PubChem (CID 151679409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).