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

C13H19N3O — CID 43451835

IUPAC5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(CC)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-3-5-16(4-2)12-8-11-9(6-10(12)14)7-13(17)15-11/h6,8H,3-5,7,14H2,1-2H3,(H,15,17)
InChIKeyOVNXKGOHSBDZMJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds4

About 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one

5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one (PubChem CID 43451835) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
PubChem CID43451835
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one
SMILESCCCN(CC)c1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C13H19N3O/c1-3-5-16(4-2)12-8-11-9(6-10(12)14)7-13(17)15-11/h6,8H,3-5,7,14H2,1-2H3,(H,15,17)
InChIKeyOVNXKGOHSBDZMJ-UHFFFAOYSA-N
XLogP2.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one?
The IUPAC name of 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one (CID 43451835) is 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one is CCCN(CC)c1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one?
The InChIKey is OVNXKGOHSBDZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-5-16(4-2)12-8-11-9(6-10(12)14)7-13(17)15-11/h6,8H,3-5,7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one?
5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[ethyl(propyl)amino]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43451835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).