5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one

C12H17N3O — CID 116932459

IUPAC5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
SMILESCNCC(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H17N3O/c1-14-7-10(13)8-3-4-11-9(5-8)6-12(16)15(11)2/h3-5,10,14H,6-7,13H2,1-2H3
InChIKeyCYXKFGNNDBOBHE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.42
Rot. Bonds3

About 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one

5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one (PubChem CID 116932459) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
PubChem CID116932459
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one
SMILESCNCC(N)c1ccc2c(c1)CC(=O)N2C
InChIInChI=1S/C12H17N3O/c1-14-7-10(13)8-3-4-11-9(5-8)6-12(16)15(11)2/h3-5,10,14H,6-7,13H2,1-2H3
InChIKeyCYXKFGNNDBOBHE-UHFFFAOYSA-N
XLogP0.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-amino-2-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290174
3-amino-3-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116848766
5-(1-amino-2-pyrrolidin-1-ylethyl)-1-methyl-3H-indol-2-one
CID 82301189
5-(1-amino-2-cyclobutylethyl)-1-methyl-3H-indol-2-one
CID 103162728
5-amino-5-(1-methyl-2-oxo-3H-indol-5-yl)pentanoic acid
CID 43119634
5-[1-amino-2-(2-fluorophenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119610
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
5-(1,2-diamino-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 116932622
5-[1-amino-2-(2-methylphenyl)ethyl]-1-methyl-3H-indol-2-one
CID 43119574
5-(1,2-diamino-3-hydroxypropyl)-1-methyl-3H-indol-2-one
CID 116942369
5-[2-amino-1-(dimethylamino)ethyl]-1-methyl-3H-indol-2-one
CID 82290175
5-(1-hydroxy-2-methylpropyl)-1-methyl-3H-indol-2-one
CID 61087220

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one (CID 116932459) is 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one is CNCC(N)c1ccc2c(c1)CC(=O)N2C.
What is the InChIKey of 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one?
The InChIKey is CYXKFGNNDBOBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-14-7-10(13)8-3-4-11-9(5-8)6-12(16)15(11)2/h3-5,10,14H,6-7,13H2,1-2H3.
What are the key properties of 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one?
5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(methylamino)ethyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116932459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).