5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one

C12H16N2O2 — CID 116859553

IUPAC5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
SMILESCC(O)C(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-7(15)12(13)8-3-4-10-9(5-8)6-11(16)14(10)2/h3-5,7,12,15H,6,13H2,1-2H3
InChIKeyPCUVBRGLKVKQRT-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.59
Rot. Bonds2

About 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one

5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one (PubChem CID 116859553) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
PubChem CID116859553
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
SMILESCC(O)C(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H16N2O2/c1-7(15)12(13)8-3-4-10-9(5-8)6-11(16)14(10)2/h3-5,7,12,15H,6,13H2,1-2H3
InChIKeyPCUVBRGLKVKQRT-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-amino-2-hydroxypropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116859555
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
2-amino-2-(1-methyl-2-oxo-3H-indol-5-yl)acetamide
CID 116850751
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-[cyclopropyl(hydroxy)methyl]-1-methyl-3H-indol-2-one
CID 61088335
1-methyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)-3H-indol-2-one
CID 79660633
(2R)-2-amino-N-[1-(1-methyl-2-oxo-3H-indol-5-yl)ethyl]propanamide;hydrochloride
CID 119317931
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one (CID 116859553) is 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one is CC(O)C(N)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one?
The InChIKey is PCUVBRGLKVKQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(15)12(13)8-3-4-10-9(5-8)6-11(16)14(10)2/h3-5,7,12,15H,6,13H2,1-2H3.
What are the key properties of 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one?
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116859553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).