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

C13H16ClN3O — CID 79348828

IUPAC5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCCC3)c(Cl)cc21
InChIInChI=1S/C13H16ClN3O/c1-15-12-8-6-9(14)11(17-4-2-3-5-17)7-10(8)16-13(12)18/h6-7,12,15H,2-5H2,1H3,(H,16,18)
InChIKeyAAIKVVFRZZTLGF-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.15
Rot. Bonds2

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

5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one (PubChem CID 79348828) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
PubChem CID79348828
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one
SMILESCNC1C(=O)Nc2cc(N3CCCC3)c(Cl)cc21
InChIInChI=1S/C13H16ClN3O/c1-15-12-8-6-9(14)11(17-4-2-3-5-17)7-10(8)16-13(12)18/h6-7,12,15H,2-5H2,1H3,(H,16,18)
InChIKeyAAIKVVFRZZTLGF-UHFFFAOYSA-N
XLogP2.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-(methylamino)-6-(1,4-oxazepan-4-yl)-1,3-dihydroindol-2-one
CID 79348767
5-chloro-6-(4-ethylpiperazin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342702
5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349114
6-(azocan-1-yl)-5-bromo-3-(methylamino)-1,3-dihydroindol-2-one
CID 79344878
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342727
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-ethylmorpholin-4-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342950
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-chloro-3-(ethylamino)-6-(4-hydroxypiperidin-1-yl)-1,3-dihydroindol-2-one
CID 79342697
5-chloro-6-(4-chloro-3-methylpyrazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349534
5-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349354
5-chloro-6-cyclobutyloxy-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349836

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one (CID 79348828) is 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one is CNC1C(=O)Nc2cc(N3CCCC3)c(Cl)cc21.
What is the InChIKey of 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one?
The InChIKey is AAIKVVFRZZTLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-15-12-8-6-9(14)11(17-4-2-3-5-17)7-10(8)16-13(12)18/h6-7,12,15H,2-5H2,1H3,(H,16,18).
What are the key properties of 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one?
5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one has a molecular weight of 265.74 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methylamino)-6-pyrrolidin-1-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79348828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).