5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one

C12H16N2O — CID 82758114

IUPAC5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
SMILESC[C@@H](N)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C12H16N2O/c1-7(13)8-4-5-10-9(6-8)12(2,3)11(15)14-10/h4-7H,13H2,1-3H3,(H,14,15)/t7-/m1/s1
InChIKeyILNOSMSMOLVXDJ-SSDOTTSWSA-N
MW204.27 g/mol
LogP1.94
Rot. Bonds1

About 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one

5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one (PubChem CID 82758114) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
PubChem CID82758114
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
SMILESC[C@@H](N)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C12H16N2O/c1-7(13)8-4-5-10-9(6-8)12(2,3)11(15)14-10/h4-7H,13H2,1-3H3,(H,14,15)/t7-/m1/s1
InChIKeyILNOSMSMOLVXDJ-SSDOTTSWSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one (CID 82758114) is 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one is C[C@@H](N)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one?
The InChIKey is ILNOSMSMOLVXDJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(13)8-4-5-10-9(6-8)12(2,3)11(15)14-10/h4-7H,13H2,1-3H3,(H,14,15)/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one?
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82758114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).