5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one

C13H15ClN2O3 — CID 79335932

IUPAC5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCCC3CO)c(Cl)cc2C1O
InChIInChI=1S/C13H15ClN2O3/c14-9-4-8-10(15-13(19)12(8)18)5-11(9)16-3-1-2-7(16)6-17/h4-5,7,12,17-18H,1-3,6H2,(H,15,19)
InChIKeyUUAMEGLQVCYVBT-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.29
Rot. Bonds2

About 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one (PubChem CID 79335932) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
PubChem CID79335932
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(N3CCCC3CO)c(Cl)cc2C1O
InChIInChI=1S/C13H15ClN2O3/c14-9-4-8-10(15-13(19)12(8)18)5-11(9)16-3-1-2-7(16)6-17/h4-5,7,12,17-18H,1-3,6H2,(H,15,19)
InChIKeyUUAMEGLQVCYVBT-UHFFFAOYSA-N
XLogP1.29
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.29
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-(azepan-1-yl)-5-chloro-3-hydroxy-1,3-dihydroindol-2-one
CID 79336064
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
5-chloro-3-hydroxy-6-thiomorpholin-4-yl-1,3-dihydroindol-2-one
CID 79336135
5-chloro-6-(2-ethylpiperidin-1-yl)-3-(methylamino)-1,3-dihydroindol-2-one
CID 79342727
5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335937
5-chloro-6-(3,3-dimethylpiperidin-1-yl)-3-hydroxy-1,3-dihydroindol-2-one
CID 79335870
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440
3-amino-5-chloro-6-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one
CID 112625997
3-chloro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 63092296
6-chloro-5-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-1,3-dihydroindol-2-one
CID 121317051
5-chloro-3-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-dihydroindol-2-one
CID 79345000
5-chloro-6-(2-ethylpiperidin-1-yl)-1H-indole-2,3-dione
CID 79336366

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one (CID 79335932) is 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one is O=C1Nc2cc(N3CCCC3CO)c(Cl)cc2C1O.
What is the InChIKey of 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is UUAMEGLQVCYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-4-8-10(15-13(19)12(8)18)5-11(9)16-3-1-2-7(16)6-17/h4-5,7,12,17-18H,1-3,6H2,(H,15,19).
What are the key properties of 5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 282.73 g/mol, XLogP of 1.29, 2 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-(hydroxymethyl)pyrrolidin-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79335932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).