5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one

C13H16N2O2 — CID 115234861

IUPAC5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
SMILESCNCc1ccc2c(c1)CC(=O)N2CC(C)=O
InChIInChI=1S/C13H16N2O2/c1-9(16)8-15-12-4-3-10(7-14-2)5-11(12)6-13(15)17/h3-5,14H,6-8H2,1-2H3
InChIKeyWKSHFUDZLQLQJM-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.88
Rot. Bonds4

About 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one

5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one (PubChem CID 115234861) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
PubChem CID115234861
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one
SMILESCNCc1ccc2c(c1)CC(=O)N2CC(C)=O
InChIInChI=1S/C13H16N2O2/c1-9(16)8-15-12-4-3-10(7-14-2)5-11(12)6-13(15)17/h3-5,14H,6-8H2,1-2H3
InChIKeyWKSHFUDZLQLQJM-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylaminomethyl)-1-(2-oxopropyl)-3,4-dihydroquinolin-2-one
CID 115234864
1,5-bis(methylaminomethyl)-3H-indol-2-one
CID 115226998
1-(bromomethyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 115262042
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-[4-(methylamino)butyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115202033
2-[6-(methylaminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]acetic acid
CID 115218053
methyl 2-[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]-2-oxoacetate
CID 115142469
2-[[5-(methylaminomethyl)-2-oxo-3H-indol-1-yl]methyl]butanenitrile
CID 115253922
1-(4-aminophenyl)-5-(methylaminomethyl)-3H-indol-2-one
CID 117041280
1-methyl-6-(methylaminomethyl)-3H-indol-2-one
CID 82603428
1-methyl-5-(3-oxobutyl)-3H-indol-2-one
CID 82471813
6-(methylaminomethyl)-2-oxo-3,4-dihydroquinoline-1-carboxylic acid
CID 115170974

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one?
The IUPAC name of 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one (CID 115234861) is 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one.
What is the SMILES notation for 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one?
The canonical SMILES for 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one is CNCc1ccc2c(c1)CC(=O)N2CC(C)=O.
What is the InChIKey of 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one?
The InChIKey is WKSHFUDZLQLQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(16)8-15-12-4-3-10(7-14-2)5-11(12)6-13(15)17/h3-5,14H,6-8H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one?
5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-1-(2-oxopropyl)-3H-indol-2-one is sourced from PubChem (CID 115234861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).