(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one

C18H19NO4 — CID 95244730

IUPAC(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H19NO4/c1-12(2)11-19-14-7-4-3-6-13(14)18(22,17(19)21)10-15(20)16-8-5-9-23-16/h3-9,12,22H,10-11H2,1-2H3/t18-/m1/s1
InChIKeyZMTRDZFMUQUNJG-GOSISDBHSA-N
MW313.35 g/mol
LogP2.74
Rot. Bonds5

About (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one

(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one (PubChem CID 95244730) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
PubChem CID95244730
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one
SMILESCC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21
InChIInChI=1S/C18H19NO4/c1-12(2)11-19-14-7-4-3-6-13(14)18(22,17(19)21)10-15(20)16-8-5-9-23-16/h3-9,12,22H,10-11H2,1-2H3/t18-/m1/s1
InChIKeyZMTRDZFMUQUNJG-GOSISDBHSA-N
XLogP2.74
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 957833
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-ynylindol-2-one
CID 2938960
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 9350088
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 17131251
(3S)-1-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244691
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(naphthalen-1-ylmethyl)indol-2-one
CID 2946406
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-nitrophenyl)methyl]indol-2-one
CID 7353308
3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 45259080
3-hydroxy-1-(2-methylpropyl)-3-[2-oxo-2-(2-oxochromen-3-yl)ethyl]indol-2-one
CID 172646021
5-chloro-1-[(4-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 2984461
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2255217
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one?
The IUPAC name of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one (CID 95244730) is (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one is CC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2ccccc21.
What is the InChIKey of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one?
The InChIKey is ZMTRDZFMUQUNJG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(2)11-19-14-7-4-3-6-13(14)18(22,17(19)21)10-15(20)16-8-5-9-23-16/h3-9,12,22H,10-11H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one?
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 95244730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).