5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one

C11H13ClN2O3 — CID 79336624

IUPAC5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C11H13ClN2O3/c1-14(2-3-15)9-5-8-6(4-7(9)12)10(16)11(17)13-8/h4-5,10,15-16H,2-3H2,1H3,(H,13,17)
InChIKeyIPJNPCYBQISISB-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.75
Rot. Bonds3

About 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one (PubChem CID 79336624) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
PubChem CID79336624
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one
SMILESCN(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2
InChIInChI=1S/C11H13ClN2O3/c1-14(2-3-15)9-5-8-6(4-7(9)12)10(16)11(17)13-8/h4-5,10,15-16H,2-3H2,1H3,(H,13,17)
InChIKeyIPJNPCYBQISISB-UHFFFAOYSA-N
XLogP0.75
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

6-[butyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336345
5-chloro-6-[ethyl(2-hydroxyethyl)amino]-3-hydroxy-1,3-dihydroindol-2-one
CID 79336625
5-chloro-3-hydroxy-6-[2-hydroxyethyl(propan-2-yl)amino]-1,3-dihydroindol-2-one
CID 79336490
6-[benzyl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79344998
5-chloro-6-(diethylamino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336757
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-ethylacetamide
CID 79336139
6-[butan-2-yl(methyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336894
6-[bis(2-methoxyethyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79345018
2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)-(cyanomethyl)amino]acetonitrile
CID 79336274
6-[butan-2-yl(butyl)amino]-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79341801
5-chloro-6-(N-ethylanilino)-3-hydroxy-1,3-dihydroindol-2-one
CID 79345004
5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 79345000

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one (CID 79336624) is 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one is CN(CCO)c1cc2c(cc1Cl)C(O)C(=O)N2.
What is the InChIKey of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is IPJNPCYBQISISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-14(2-3-15)9-5-8-6(4-7(9)12)10(16)11(17)13-8/h4-5,10,15-16H,2-3H2,1H3,(H,13,17).
What are the key properties of 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 256.69 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-[2-hydroxyethyl(methyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).