5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one

C12H12Br2N2O3 — CID 3240746

IUPAC5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1(O)N1CCOCC1
InChIInChI=1S/C12H12Br2N2O3/c13-7-5-8-10(9(14)6-7)15-11(17)12(8,18)16-1-3-19-4-2-16/h5-6,18H,1-4H2,(H,15,17)
InChIKeyUWBBKSKQWRLGDY-UHFFFAOYSA-N
MW392.05 g/mol
LogP1.64
Rot. Bonds1

About 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one

5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one (PubChem CID 3240746) has the molecular formula C12H12Br2N2O3 and a molecular weight of 392.05 g/mol. Its IUPAC name is 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one.

Molecular Properties

Compound Name5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
PubChem CID3240746
Molecular FormulaC12H12Br2N2O3
Molecular Weight392.05 g/mol
Exact Mass389.92
IUPAC Name5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2C1(O)N1CCOCC1
InChIInChI=1S/C12H12Br2N2O3/c13-7-5-8-10(9(14)6-7)15-11(17)12(8,18)16-1-3-19-4-2-16/h5-6,18H,1-4H2,(H,15,17)
InChIKeyUWBBKSKQWRLGDY-UHFFFAOYSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
The IUPAC name of 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one (CID 3240746) is 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one.
What is the SMILES notation for 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
The canonical SMILES for 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one is O=C1Nc2c(Br)cc(Br)cc2C1(O)N1CCOCC1.
What is the InChIKey of 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
The InChIKey is UWBBKSKQWRLGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2O3/c13-7-5-8-10(9(14)6-7)15-11(17)12(8,18)16-1-3-19-4-2-16/h5-6,18H,1-4H2,(H,15,17).
What are the key properties of 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one has a molecular weight of 392.05 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one is sourced from PubChem (CID 3240746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).