5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

C13H16ClN3O2 — CID 79349114

IUPAC5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCC(O)C3)c(Cl)cc21
InChIInChI=1S/C13H16ClN3O2/c1-15-12-8-4-9(14)11(5-10(8)16-13(12)19)17-3-2-7(18)6-17/h4-5,7,12,15,18H,2-3,6H2,1H3,(H,16,19)
InChIKeyUSCSJKOLJBSXSL-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.12
Rot. Bonds2

About 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one

5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (PubChem CID 79349114) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
PubChem CID79349114
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCC(O)C3)c(Cl)cc21
InChIInChI=1S/C13H16ClN3O2/c1-15-12-8-4-9(14)11(5-10(8)16-13(12)19)17-3-2-7(18)6-17/h4-5,7,12,15,18H,2-3,6H2,1H3,(H,16,19)
InChIKeyUSCSJKOLJBSXSL-UHFFFAOYSA-N
XLogP1.12
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.12
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

5-chloro-3-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 79336696
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 79348828
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
5-chloro-6-(2-ethylmorpholin-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342950
5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342702
5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
5-chloro-3-(methylamino)-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3-dihydroindol-2-one
CID 114410361
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342727
5-bromo-6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(methylamino)-1,3-dihydroindol-2-one
CID 115965447
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 112625997
5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349534

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one (CID 79349114) is 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CCC(O)C3)c(Cl)cc21.
What is the InChIKey of 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
The InChIKey is USCSJKOLJBSXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-15-12-8-4-9(14)11(5-10(8)16-13(12)19)17-3-2-7(18)6-17/h4-5,7,12,15,18H,2-3,6H2,1H3,(H,16,19).
What are the key properties of 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one?
5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one has a molecular weight of 281.74 g/mol, XLogP of 1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one is sourced from PubChem (CID 79349114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).