(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one

C15H12BrNO4 — CID 1328583

IUPAC(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)o1
InChIInChI=1S/C15H12BrNO4/c1-8-2-5-13(21-8)12(18)7-15(20)10-6-9(16)3-4-11(10)17-14(15)19/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyZXVSZEBWYFWCND-OAHLLOKOSA-N
MW350.17 g/mol
LogP2.76
Rot. Bonds3

About (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one

(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 1328583) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one
PubChem CID1328583
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)o1
InChIInChI=1S/C15H12BrNO4/c1-8-2-5-13(21-8)12(18)7-15(20)10-6-9(16)3-4-11(10)17-14(15)19/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyZXVSZEBWYFWCND-OAHLLOKOSA-N
XLogP2.76
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one (CID 1328583) is (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one is Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Br)cc32)o1.
What is the InChIKey of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is ZXVSZEBWYFWCND-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-2-5-13(21-8)12(18)7-15(20)10-6-9(16)3-4-11(10)17-14(15)19/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one?
(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 350.17 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 1328583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).