5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one

C15H22N2O2 — CID 82501099

IUPAC5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one
SMILESCNCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C15H22N2O2/c1-15(2)11-9-10(13(18)7-8-16-3)5-6-12(11)17(4)14(15)19/h5-6,9,13,16,18H,7-8H2,1-4H3
InChIKeyRYFQBKFCTZDSCF-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds4

About 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one

5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one (PubChem CID 82501099) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one
PubChem CID82501099
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one
SMILESCNCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C
InChIInChI=1S/C15H22N2O2/c1-15(2)11-9-10(13(18)7-8-16-3)5-6-12(11)17(4)14(15)19/h5-6,9,13,16,18H,7-8H2,1-4H3
InChIKeyRYFQBKFCTZDSCF-UHFFFAOYSA-N
XLogP1.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
CID 10987427
5-{2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-1,3-dihydro-indol-2-one
CID 14580202
2H-Indol-2-one, 1,3-dihydro-3-hydroxy-5-methyl-
CID 57488
(3S)-3-hydroxy-3-[2-(methylamino)ethyl]-1H-indol-2-one
CID 5325568
5-[(1S,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 9929020
5-[(1S,2S)-1-Hydroxy-2-(4-phenyl-piperidin-1-yl)-propyl]-1,3-dihydro-indol-2-one
CID 44383751
5-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-1,3-dihydro-indol-2-one
CID 44384451
5-(1-hydroxyethyl)-2,3-dihydro-1H-indol-2-one
CID 47002707
5-(Hydroxymethyl)-1,3-Dihydro-2H-Indol-2-One
CID 59751036
(1R,10R,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-1-hydroxy-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-4,6,8(15)-triene-2,11-dione
CID 171346881
(1R,10R,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-1-hydroxy-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-4,6,8(15)-triene-2,11-dione
CID 171351184
2-oxo-3(R)-hydroxy-lyngbyatoxin A
CID 101883963

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one?
The IUPAC name of 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one (CID 82501099) is 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one?
The canonical SMILES for 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one is CNCCC(O)c1ccc2c(c1)C(C)(C)C(=O)N2C.
What is the InChIKey of 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one?
The InChIKey is RYFQBKFCTZDSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)11-9-10(13(18)7-8-16-3)5-6-12(11)17(4)14(15)19/h5-6,9,13,16,18H,7-8H2,1-4H3.
What are the key properties of 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one?
5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-hydroxy-3-(methylamino)propyl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 82501099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).