5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one

C11H15N3O — CID 115226042

IUPAC5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2CN
InChIInChI=1S/C11H15N3O/c12-4-3-8-1-2-10-9(5-8)6-11(15)14(10)7-13/h1-2,5H,3-4,6-7,12-13H2
InChIKeyAXFYGGCOLATLFD-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.01
Rot. Bonds3

About 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one

5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one (PubChem CID 115226042) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
PubChem CID115226042
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one
SMILESNCCc1ccc2c(c1)CC(=O)N2CN
InChIInChI=1S/C11H15N3O/c12-4-3-8-1-2-10-9(5-8)6-11(15)14(10)7-13/h1-2,5H,3-4,6-7,12-13H2
InChIKeyAXFYGGCOLATLFD-UHFFFAOYSA-N
XLogP-0.01
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one?
The IUPAC name of 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one (CID 115226042) is 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one.
What is the SMILES notation for 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one?
The canonical SMILES for 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one is NCCc1ccc2c(c1)CC(=O)N2CN.
What is the InChIKey of 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one?
The InChIKey is AXFYGGCOLATLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-4-3-8-1-2-10-9(5-8)6-11(15)14(10)7-13/h1-2,5H,3-4,6-7,12-13H2.
What are the key properties of 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one?
5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one has a molecular weight of 205.26 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1-(aminomethyl)-3H-indol-2-one is sourced from PubChem (CID 115226042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).