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

C14H20N2O — CID 82289779

IUPAC5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
SMILESCC(C)C(C)(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H20N2O/c1-9(2)14(3,15)11-5-6-12-10(7-11)8-13(17)16(12)4/h5-7,9H,8,15H2,1-4H3
InChIKeyWFMIVGDUAFNBPI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.04
Rot. Bonds2

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

5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one (PubChem CID 82289779) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
PubChem CID82289779
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
SMILESCC(C)C(C)(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C14H20N2O/c1-9(2)14(3,15)11-5-6-12-10(7-11)8-13(17)16(12)4/h5-7,9H,8,15H2,1-4H3
InChIKeyWFMIVGDUAFNBPI-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
5-[(1R)-1-hydroxyethyl]-1-methyl-3H-indol-2-one
CID 82758338
5-(1-chloroethyl)-1-methyl-3H-indol-2-one
CID 61084186
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220
5-(1-amino-2-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116859553
5-(1-bromo-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61098137
6-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312742
6-(2-amino-1,1-difluoro-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116839401
5-(2-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116928648
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
5-(3-aminobutanoyl)-1-methyl-3H-indol-2-one
CID 116915591

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one (CID 82289779) is 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one is CC(C)C(C)(N)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one?
The InChIKey is WFMIVGDUAFNBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)14(3,15)11-5-6-12-10(7-11)8-13(17)16(12)4/h5-7,9H,8,15H2,1-4H3.
What are the key properties of 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one?
5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82289779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).