3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one

C14H20N2O — CID 152743240

IUPAC3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one
SMILESCCCN(C)CCC1=CNC2=CC=CC(=O)C12
InChIInChI=1S/C14H20N2O/c1-3-8-16(2)9-7-11-10-15-12-5-4-6-13(17)14(11)12/h4-6,10,14-15H,3,7-9H2,1-2H3
InChIKeyPHCUOLWIZXSVED-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.84
Rot. Bonds5

About 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one

3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one (PubChem CID 152743240) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one.

Molecular Properties

Compound Name3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one
PubChem CID152743240
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one
SMILESCCCN(C)CCC1=CNC2=CC=CC(=O)C12
InChIInChI=1S/C14H20N2O/c1-3-8-16(2)9-7-11-10-15-12-5-4-6-13(17)14(11)12/h4-6,10,14-15H,3,7-9H2,1-2H3
InChIKeyPHCUOLWIZXSVED-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one?
The IUPAC name of 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one (CID 152743240) is 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one.
What is the SMILES notation for 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one?
The canonical SMILES for 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one is CCCN(C)CCC1=CNC2=CC=CC(=O)C12.
What is the InChIKey of 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one?
The InChIKey is PHCUOLWIZXSVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-8-16(2)9-7-11-10-15-12-5-4-6-13(17)14(11)12/h4-6,10,14-15H,3,7-9H2,1-2H3.
What are the key properties of 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one?
3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one has a molecular weight of 232.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[methyl(propyl)amino]ethyl]-1,3a-dihydroindol-4-one is sourced from PubChem (CID 152743240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).