5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one

C15H11BrN2O2 — CID 2980188

IUPAC5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2C12Nc1ccccc1CO2
InChIInChI=1S/C15H11BrN2O2/c16-10-5-6-13-11(7-10)15(14(19)17-13)18-12-4-2-1-3-9(12)8-20-15/h1-7,18H,8H2,(H,17,19)
InChIKeyFEHUCBBVWUZJFZ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.20
Rot. Bonds

About 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one

5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one (PubChem CID 2980188) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one
PubChem CID2980188
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(Br)cc2C12Nc1ccccc1CO2
InChIInChI=1S/C15H11BrN2O2/c16-10-5-6-13-11(7-10)15(14(19)17-13)18-12-4-2-1-3-9(12)8-20-15/h1-7,18H,8H2,(H,17,19)
InChIKeyFEHUCBBVWUZJFZ-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one (CID 2980188) is 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(Br)cc2C12Nc1ccccc1CO2.
What is the InChIKey of 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one?
The InChIKey is FEHUCBBVWUZJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c16-10-5-6-13-11(7-10)15(14(19)17-13)18-12-4-2-1-3-9(12)8-20-15/h1-7,18H,8H2,(H,17,19).
What are the key properties of 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one?
5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one has a molecular weight of 331.17 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromospiro[1,4-dihydro-3,1-benzoxazine-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 2980188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).