5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one

C13H18N2O2 — CID 116952949

IUPAC5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
SMILESCNC(CCCO)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-14-11(3-2-6-16)9-4-5-12-10(7-9)8-13(17)15-12/h4-5,7,11,14,16H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyQGOIJUDPIOTEEY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds5

About 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one

5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one (PubChem CID 116952949) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
PubChem CID116952949
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
SMILESCNC(CCCO)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-14-11(3-2-6-16)9-4-5-12-10(7-9)8-13(17)15-12/h4-5,7,11,14,16H,2-3,6,8H2,1H3,(H,15,17)
InChIKeyQGOIJUDPIOTEEY-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116949295
6-[1-(methylamino)pentyl]-3,4-dihydro-1H-quinolin-2-one
CID 43483892
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878
7-[1-(methylamino)heptyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 114752371
5-[1-(methylamino)-2-(3-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62387864
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
6-[1-(methylamino)-3-sulfanylpropyl]-3,4-dihydro-1H-quinolin-2-one
CID 116831398
5-[2-ethyl-1-(methylamino)hexyl]-1,3-dihydroindol-2-one
CID 43484784
N-methyl-2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82475513
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818

Frequently Asked Questions

What is the IUPAC name of 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one (CID 116952949) is 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one is CNC(CCCO)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
The InChIKey is QGOIJUDPIOTEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14-11(3-2-6-16)9-4-5-12-10(7-9)8-13(17)15-12/h4-5,7,11,14,16H,2-3,6,8H2,1H3,(H,15,17).
What are the key properties of 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one?
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116952949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).