3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one

C13H17N3O2 — CID 81308553

IUPAC3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(N)c2ccc(N3CCC(O)C3)cc21
InChIInChI=1S/C13H17N3O2/c1-15-11-6-8(16-5-4-9(17)7-16)2-3-10(11)12(14)13(15)18/h2-3,6,9,12,17H,4-5,7,14H2,1H3
InChIKeyGKYBKAOFBQKLMH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.23
Rot. Bonds1

About 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one

3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one (PubChem CID 81308553) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
PubChem CID81308553
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(N)c2ccc(N3CCC(O)C3)cc21
InChIInChI=1S/C13H17N3O2/c1-15-11-6-8(16-5-4-9(17)7-16)2-3-10(11)12(14)13(15)18/h2-3,6,9,12,17H,4-5,7,14H2,1H3
InChIKeyGKYBKAOFBQKLMH-UHFFFAOYSA-N
XLogP0.23
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
CID 102959004
3-amino-6-[4-(1-hydroxyethyl)piperidin-1-yl]-1-methyl-3H-indol-2-one
CID 106836266
3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
CID 103496851
3-amino-6-(4-ethyl-3-methylpiperazin-1-yl)-1-methyl-3H-indol-2-one
CID 81300740
3-amino-6-(4,4-dimethylazepan-1-yl)-1-methyl-3H-indol-2-one
CID 81301595
3-amino-1-methyl-6-(2-methylpyrrolidin-1-yl)-3H-indol-2-one
CID 81308775
6-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-1-methyl-3H-indol-2-one
CID 81309665
ethane;1-(3-methylphenyl)pyrrolidin-3-ol
CID 168922938
1-(4-amino-3-ethylphenyl)pyrrolidin-3-ol
CID 22034798
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
3-hydroxy-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-3H-indol-2-one
CID 81302367
3-amino-6-(3-methylpiperidin-1-yl)-1,3-dihydroindol-2-one
CID 43586553

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one (CID 81308553) is 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one is CN1C(=O)C(N)c2ccc(N3CCC(O)C3)cc21.
What is the InChIKey of 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one?
The InChIKey is GKYBKAOFBQKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-11-6-8(16-5-4-9(17)7-16)2-3-10(11)12(14)13(15)18/h2-3,6,9,12,17H,4-5,7,14H2,1H3.
What are the key properties of 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one?
3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-hydroxypyrrolidin-1-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81308553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).