(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C15H12ClNO4 — CID 969721

IUPAC(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccco1
InChIInChI=1S/C15H12ClNO4/c1-8-4-5-9(16)12-13(8)17-14(19)15(12,20)7-10(18)11-3-2-6-21-11/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyWIFGHIIIWIWCHK-HNNXBMFYSA-N
MW305.72 g/mol
LogP2.65
Rot. Bonds3

About (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 969721) has the molecular formula C15H12ClNO4 and a molecular weight of 305.72 g/mol. Its IUPAC name is (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID969721
Molecular FormulaC15H12ClNO4
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccco1
InChIInChI=1S/C15H12ClNO4/c1-8-4-5-9(16)12-13(8)17-14(19)15(12,20)7-10(18)11-3-2-6-21-11/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m0/s1
InChIKeyWIFGHIIIWIWCHK-HNNXBMFYSA-N
XLogP2.65
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-hydroxy-7-methyl-3-(2-oxo-2-pyridin-4-ylethyl)-1H-indol-2-one
CID 12777142
4-chloro-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2976345
5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2961237
(3R)-4-chloro-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 7275803
(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
2-cyano-N-[(Z)-[2-[(3R)-4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl]-1-(furan-2-yl)ethylidene]amino]acetamide
CID 92530343
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
4,7-dichloro-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)-1H-indol-2-one
CID 121268277
(3S)-4,7-dichloro-3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 986259
3-benzyl-5-chloro-3-hydroxy-8-methyl-1H-quinoline-2,4-dione
CID 15831706
(3S)-4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfonylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 121277286

Frequently Asked Questions

What is the IUPAC name of (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 969721) is (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)[C@]2(O)CC(=O)c1ccco1.
What is the InChIKey of (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is WIFGHIIIWIWCHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H12ClNO4/c1-8-4-5-9(16)12-13(8)17-14(19)15(12,20)7-10(18)11-3-2-6-21-11/h2-6,20H,7H2,1H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
(3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 305.72 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-chloro-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 969721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).