(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

C17H16N2O3 — CID 957775

IUPAC(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
SMILESCCN1C(=O)[C@](O)(CC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-19-14-8-4-3-7-13(14)17(22,16(19)21)10-15(20)12-6-5-9-18-11-12/h3-9,11,22H,2,10H2,1H3/t17-/m0/s1
InChIKeyXJWWSBPRIXEKMS-KRWDZBQOSA-N
MW296.33 g/mol
LogP1.91
Rot. Bonds4

About (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (PubChem CID 957775) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
PubChem CID957775
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
SMILESCCN1C(=O)[C@](O)(CC(=O)c2cccnc2)c2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-19-14-8-4-3-7-13(14)17(22,16(19)21)10-15(20)12-6-5-9-18-11-12/h3-9,11,22H,2,10H2,1H3/t17-/m0/s1
InChIKeyXJWWSBPRIXEKMS-KRWDZBQOSA-N
XLogP1.91
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 4271426
ethyl 2-[(3S)-3-hydroxy-2-oxo-3-(2-oxo-2-pyridin-3-ylethyl)indol-1-yl]acetate
CID 1310836
(3R)-3-hydroxy-1-[(4-methylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7270819
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 2927962
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 7680451
3-hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 2957285
(3R)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 40963900
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
CID 1162510
(3S)-3-[2-(4-bromophenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 1330472
3-[2-(4-ethoxyphenyl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 2914331
1-ethyl-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]indol-2-one
CID 2910407
(3R)-1-ethyl-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]indol-2-one
CID 26414005

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The IUPAC name of (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (CID 957775) is (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.
What is the SMILES notation for (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The canonical SMILES for (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is CCN1C(=O)[C@](O)(CC(=O)c2cccnc2)c2ccccc21.
What is the InChIKey of (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The InChIKey is XJWWSBPRIXEKMS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-19-14-8-4-3-7-13(14)17(22,16(19)21)10-15(20)12-6-5-9-18-11-12/h3-9,11,22H,2,10H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
(3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is sourced from PubChem (CID 957775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).