2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine

C12H12BrNO — CID 10706847

IUPAC2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine
SMILESBrc1cccc(/C=C/C2=NCCCO2)c1
InChIInChI=1S/C12H12BrNO/c13-11-4-1-3-10(9-11)5-6-12-14-7-2-8-15-12/h1,3-6,9H,2,7-8H2/b6-5+
InChIKeyWATCYYJQDBXZRT-AATRIKPKSA-N
MW266.14 g/mol
LogP3.28
Rot. Bonds2

About 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine

2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 10706847) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID10706847
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine
SMILESBrc1cccc(/C=C/C2=NCCCO2)c1
InChIInChI=1S/C12H12BrNO/c13-11-4-1-3-10(9-11)5-6-12-14-7-2-8-15-12/h1,3-6,9H,2,7-8H2/b6-5+
InChIKeyWATCYYJQDBXZRT-AATRIKPKSA-N
XLogP3.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine (CID 10706847) is 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine is Brc1cccc(/C=C/C2=NCCCO2)c1.
What is the InChIKey of 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is WATCYYJQDBXZRT-AATRIKPKSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-11-4-1-3-10(9-11)5-6-12-14-7-2-8-15-12/h1,3-6,9H,2,7-8H2/b6-5+.
What are the key properties of 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine?
2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 266.14 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-bromophenyl)ethenyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 10706847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).