3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one

C13H19N3O2 — CID 61424784

IUPAC3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(CCO)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C13H19N3O2/c1-2-5-16(6-7-17)9-3-4-10-11(8-9)15-13(18)12(10)14/h3-4,8,12,17H,2,5-7,14H2,1H3,(H,15,18)
InChIKeyOHXJNBQYLQDDHR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds5

About 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one

3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one (PubChem CID 61424784) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one
PubChem CID61424784
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(CCO)c1ccc2c(c1)NC(=O)C2N
InChIInChI=1S/C13H19N3O2/c1-2-5-16(6-7-17)9-3-4-10-11(8-9)15-13(18)12(10)14/h3-4,8,12,17H,2,5-7,14H2,1H3,(H,15,18)
InChIKeyOHXJNBQYLQDDHR-UHFFFAOYSA-N
XLogP0.85
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one (CID 61424784) is 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one is CCCN(CCO)c1ccc2c(c1)NC(=O)C2N.
What is the InChIKey of 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is OHXJNBQYLQDDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-5-16(6-7-17)9-3-4-10-11(8-9)15-13(18)12(10)14/h3-4,8,12,17H,2,5-7,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one?
3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[2-hydroxyethyl(propyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61424784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).