3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one

C16H24N2O — CID 152743125

IUPAC3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one
SMILESCCCN(CCC)CCC1=CNC2=CC=CC(=O)C12
InChIInChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-12-17-14-6-5-7-15(19)16(13)14/h5-7,12,16-17H,3-4,8-11H2,1-2H3
InChIKeyNUIDCCUHIRQNEO-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.62
Rot. Bonds7

About 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one

3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one (PubChem CID 152743125) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one.

Molecular Properties

Compound Name3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one
PubChem CID152743125
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one
SMILESCCCN(CCC)CCC1=CNC2=CC=CC(=O)C12
InChIInChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-12-17-14-6-5-7-15(19)16(13)14/h5-7,12,16-17H,3-4,8-11H2,1-2H3
InChIKeyNUIDCCUHIRQNEO-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one?
The IUPAC name of 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one (CID 152743125) is 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one.
What is the SMILES notation for 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one?
The canonical SMILES for 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one is CCCN(CCC)CCC1=CNC2=CC=CC(=O)C12.
What is the InChIKey of 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one?
The InChIKey is NUIDCCUHIRQNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-12-17-14-6-5-7-15(19)16(13)14/h5-7,12,16-17H,3-4,8-11H2,1-2H3.
What are the key properties of 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one?
3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one has a molecular weight of 260.38 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dipropylamino)ethyl]-1,3a-dihydroindol-4-one is sourced from PubChem (CID 152743125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).