7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine

C10H12BrNO — CID 82231974

IUPAC7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CNc2ccc(Br)cc2O1
InChIInChI=1S/C10H12BrNO/c1-2-8-6-12-9-4-3-7(11)5-10(9)13-8/h3-5,8,12H,2,6H2,1H3
InChIKeyUGBGNBQFHBHMPG-UHFFFAOYSA-N
MW242.12 g/mol
LogP3.03
Rot. Bonds1

About 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine

7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 82231974) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID82231974
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCCC1CNc2ccc(Br)cc2O1
InChIInChI=1S/C10H12BrNO/c1-2-8-6-12-9-4-3-7(11)5-10(9)13-8/h3-5,8,12H,2,6H2,1H3
InChIKeyUGBGNBQFHBHMPG-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 82231974) is 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine is CCC1CNc2ccc(Br)cc2O1.
What is the InChIKey of 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is UGBGNBQFHBHMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-2-8-6-12-9-4-3-7(11)5-10(9)13-8/h3-5,8,12H,2,6H2,1H3.
What are the key properties of 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine?
7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 242.12 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 82231974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).