5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one

C14H17ClN2O2 — CID 79335937

IUPAC5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESCC1CN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1C
InChIInChI=1S/C14H17ClN2O2/c1-7-5-17(6-8(7)2)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8,13,18H,5-6H2,1-2H3,(H,16,19)
InChIKeyGCSOXDWUBFOTOY-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.42
Rot. Bonds1

About 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one

5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 79335937) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID79335937
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
SMILESCC1CN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1C
InChIInChI=1S/C14H17ClN2O2/c1-7-5-17(6-8(7)2)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8,13,18H,5-6H2,1-2H3,(H,16,19)
InChIKeyGCSOXDWUBFOTOY-UHFFFAOYSA-N
XLogP2.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.42
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

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 115560542
6-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
5-chloro-3-hydroxy-6-(3-hydroxypyrrolidin-1-yl)-1,3-dihydroindol-2-one
CID 79336696
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
5-chloro-3-hydroxy-6-(4-propan-2-ylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 103498520
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
5-chloro-3-hydroxy-6-(4-methyl-3-oxo-1,4-diazepan-1-yl)-1,3-dihydroindol-2-one
CID 102889556
5-chloro-6-(2,2-dimethylmorpholin-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79336349
5-chloro-6-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 107456625
5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 79335932
5-chloro-6-(3-hydroxypyrrolidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79349114
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-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one (CID 79335937) is 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one is CC1CN(c2cc3c(cc2Cl)C(O)C(=O)N3)CC1C.
What is the InChIKey of 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is GCSOXDWUBFOTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-7-5-17(6-8(7)2)12-4-11-9(3-10(12)15)13(18)14(19)16-11/h3-4,7-8,13,18H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one?
5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).