5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one

C11H15N3O — CID 116932458

IUPAC5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCNCC(N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H15N3O/c1-13-6-9(12)7-2-3-10-8(4-7)5-11(15)14-10/h2-4,9,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyABVJMDDZXVFQJF-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.40
Rot. Bonds3

About 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one

5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one (PubChem CID 116932458) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
PubChem CID116932458
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
SMILESCNCC(N)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H15N3O/c1-13-6-9(12)7-2-3-10-8(4-7)5-11(15)14-10/h2-4,9,13H,5-6,12H2,1H3,(H,14,15)
InChIKeyABVJMDDZXVFQJF-UHFFFAOYSA-N
XLogP0.40
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
2-amino-N-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 116850390
5-(1-amino-3,5,5-trimethylhexyl)-1,3-dihydroindol-2-one
CID 43321079
methyl 2-[2-amino-2-(2-oxo-1,3-dihydroindol-5-yl)ethoxy]acetate
CID 61328373
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-[1-amino-2-(3,4-dimethylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 62553297
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-[4-amino-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116949295

Frequently Asked Questions

What is the IUPAC name of 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one (CID 116932458) is 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one is CNCC(N)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one?
The InChIKey is ABVJMDDZXVFQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-6-9(12)7-2-3-10-8(4-7)5-11(15)14-10/h2-4,9,13H,5-6,12H2,1H3,(H,14,15).
What are the key properties of 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one?
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116932458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).