(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one

C12H14N2O3 — CID 5396666

IUPAC(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
SMILESC/C(C[C@]1(O)C(=O)N(C)c2ccccc21)=N/O
InChIInChI=1S/C12H14N2O3/c1-8(13-17)7-12(16)9-5-3-4-6-10(9)14(2)11(12)15/h3-6,16-17H,7H2,1-2H3/b13-8-/t12-/m1/s1
InChIKeyYYHDTQKJGZYRKU-YFBAIUBQSA-N
MW234.26 g/mol
LogP1.09
Rot. Bonds2

About (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one

(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one (PubChem CID 5396666) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
PubChem CID5396666
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one
SMILESC/C(C[C@]1(O)C(=O)N(C)c2ccccc21)=N/O
InChIInChI=1S/C12H14N2O3/c1-8(13-17)7-12(16)9-5-3-4-6-10(9)14(2)11(12)15/h3-6,16-17H,7H2,1-2H3/b13-8-/t12-/m1/s1
InChIKeyYYHDTQKJGZYRKU-YFBAIUBQSA-N
XLogP1.09
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
2-[[(3R)-3-hydroxy-1-methyl-2-oxoindol-3-yl]methyl]-N-phenylprop-2-enamide
CID 132838977
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3R)-3-hydroxy-1-methyl-3-(2-oxo-2-thiophen-2-ylethyl)indol-2-one
CID 823783
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
(3R)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 1330612
(3R)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 806504
3-hydroxy-1-methyl-3-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indol-2-one
CID 3527492
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
3-hydroxy-1-methyl-3-(2-oxo-6-phenylhexa-3,5-dienyl)indol-2-one
CID 2914014
(3S)-3-hydroxy-1-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]indol-2-one
CID 6927066

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one?
The IUPAC name of (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one (CID 5396666) is (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one.
What is the SMILES notation for (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one?
The canonical SMILES for (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one is C/C(C[C@]1(O)C(=O)N(C)c2ccccc21)=N/O.
What is the InChIKey of (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one?
The InChIKey is YYHDTQKJGZYRKU-YFBAIUBQSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(13-17)7-12(16)9-5-3-4-6-10(9)14(2)11(12)15/h3-6,16-17H,7H2,1-2H3/b13-8-/t12-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one?
(3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one has a molecular weight of 234.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-[(2Z)-2-hydroxyiminopropyl]-1-methylindol-2-one is sourced from PubChem (CID 5396666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).