(3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one

C10H12NO5P — CID 125471731

IUPAC(3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one
SMILESCO[P@](C)(=O)O[C@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H12NO5P/c1-15-17(2,14)16-10(13)7-5-3-4-6-8(7)11-9(10)12/h3-6,13H,1-2H3,(H,11,12)/t10-,17-/m0/s1
InChIKeySGOBNWSAVZSGHF-BTDLBPIBSA-N
MW257.18 g/mol
LogP1.27
Rot. Bonds3

About (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one

(3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one (PubChem CID 125471731) has the molecular formula C10H12NO5P and a molecular weight of 257.18 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one
PubChem CID125471731
Molecular FormulaC10H12NO5P
Molecular Weight257.18 g/mol
Exact Mass257.05
IUPAC Name(3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one
SMILESCO[P@](C)(=O)O[C@]1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C10H12NO5P/c1-15-17(2,14)16-10(13)7-5-3-4-6-8(7)11-9(10)12/h3-6,13H,1-2H3,(H,11,12)/t10-,17-/m0/s1
InChIKeySGOBNWSAVZSGHF-BTDLBPIBSA-N
XLogP1.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3,3-dimethoxy-1H-indol-2-one;ethane
CID 54484011
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
3-hydroxy-3-(2-hydroxy-5-methoxyphenyl)-1H-indol-2-one
CID 15857499
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
3-(2,6-difluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83036180
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
CID 146949857
CID 146949857
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3-butyl-3-hydroxy-1H-indol-2-one
CID 15744776

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one (CID 125471731) is (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one is CO[P@](C)(=O)O[C@]1(O)C(=O)Nc2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one?
The InChIKey is SGOBNWSAVZSGHF-BTDLBPIBSA-N. The full InChI is InChI=1S/C10H12NO5P/c1-15-17(2,14)16-10(13)7-5-3-4-6-8(7)11-9(10)12/h3-6,13H,1-2H3,(H,11,12)/t10-,17-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one?
(3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one has a molecular weight of 257.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[methoxy(methyl)phosphoryl]oxy-1H-indol-2-one is sourced from PubChem (CID 125471731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).