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

C13H18N2O2 — CID 82496319

IUPAC5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(N)C(O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O2/c1-7(14)11(16)8-4-5-10-9(6-8)13(2,3)12(17)15-10/h4-7,11,16H,14H2,1-3H3,(H,15,17)
InChIKeyADEBCYCKPZOHAY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds2

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

5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82496319) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82496319
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one
SMILESCC(N)C(O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C13H18N2O2/c1-7(14)11(16)8-4-5-10-9(6-8)13(2,3)12(17)15-10/h4-7,11,16H,14H2,1-3H3,(H,15,17)
InChIKeyADEBCYCKPZOHAY-UHFFFAOYSA-N
XLogP1.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
5-(1-hydroxy-3-methylbutyl)-3,3-dimethyl-1H-indol-2-one
CID 79015226
5-(1-amino-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83154697
5-(1-hydroxy-4-methylpentyl)-3,3-dimethyl-1H-indol-2-one
CID 80500129
5-(1-chloro-2,2-dimethylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 80501056
5-(2-aminopropyl)-3,3-dimethyl-1H-indol-2-one
CID 82190459
5-[amino-(2-methylcyclopropyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500009
2-[2-amino-2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethoxy]acetic acid
CID 80500392
5-[hydroxy-(3-methylphenyl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 79015068
5-[cyclobutyl(hydroxy)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80500340
5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 107961168
5-(1-bromo-2-cyclopropylpropyl)-3,3-dimethyl-1H-indol-2-one
CID 83148974

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one (CID 82496319) is 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one is CC(N)C(O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ADEBCYCKPZOHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-7(14)11(16)8-4-5-10-9(6-8)13(2,3)12(17)15-10/h4-7,11,16H,14H2,1-3H3,(H,15,17).
What are the key properties of 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one?
5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxypropyl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82496319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).