5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C15H12BrNO4 — CID 2961237

IUPAC5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cc(Br)cc2c1NC(=O)C2(O)CC(=O)c1ccco1
InChIInChI=1S/C15H12BrNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19)
InChIKeyKGXSTZZCBMWXET-UHFFFAOYSA-N
MW350.17 g/mol
LogP2.76
Rot. Bonds3

About 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 2961237) has the molecular formula C15H12BrNO4 and a molecular weight of 350.17 g/mol. Its IUPAC name is 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID2961237
Molecular FormulaC15H12BrNO4
Molecular Weight350.17 g/mol
Exact Mass348.99
IUPAC Name5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cc(Br)cc2c1NC(=O)C2(O)CC(=O)c1ccco1
InChIInChI=1S/C15H12BrNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19)
InChIKeyKGXSTZZCBMWXET-UHFFFAOYSA-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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Related Compounds

5-bromo-3-hydroxy-7-methyl-3-(2-oxopropyl)-1H-indol-2-one
CID 52983472
(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 969721
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3S)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886898
(3R)-5-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 886897
(3R)-5-bromo-1-[(2,5-dimethylphenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 40878298
(3R)-5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 7013974
(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 1328583
3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360612
(3R)-5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 40918699
2-(4-bromo-2-methylphenoxy)-1-(furan-2-yl)ethanone
CID 55026653
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,7-dimethyl-1H-indol-2-one
CID 51612596

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 2961237) is 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1cc(Br)cc2c1NC(=O)C2(O)CC(=O)c1ccco1.
What is the InChIKey of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is KGXSTZZCBMWXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO4/c1-8-5-9(16)6-10-13(8)17-14(19)15(10,20)7-11(18)12-3-2-4-21-12/h2-6,20H,7H2,1H3,(H,17,19).
What are the key properties of 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-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 5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 2961237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).