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

C17H25NO — CID 158996425

IUPAC4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one
SMILESCCCN(CCC)CCc1cccc2c1CC(=O)C2
InChIInChI=1S/C17H25NO/c1-3-9-18(10-4-2)11-8-14-6-5-7-15-12-16(19)13-17(14)15/h5-7H,3-4,8-13H2,1-2H3
InChIKeyJQUGVEPXJBGSHF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.02
Rot. Bonds7

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

4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one (PubChem CID 158996425) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one
PubChem CID158996425
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one
SMILESCCCN(CCC)CCc1cccc2c1CC(=O)C2
InChIInChI=1S/C17H25NO/c1-3-9-18(10-4-2)11-8-14-6-5-7-15-12-16(19)13-17(14)15/h5-7H,3-4,8-13H2,1-2H3
InChIKeyJQUGVEPXJBGSHF-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one?
The IUPAC name of 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one (CID 158996425) is 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one.
What is the SMILES notation for 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one?
The canonical SMILES for 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one is CCCN(CCC)CCc1cccc2c1CC(=O)C2.
What is the InChIKey of 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one?
The InChIKey is JQUGVEPXJBGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-9-18(10-4-2)11-8-14-6-5-7-15-12-16(19)13-17(14)15/h5-7H,3-4,8-13H2,1-2H3.
What are the key properties of 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one?
4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one has a molecular weight of 259.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dipropylamino)ethyl]-1,3-dihydroinden-2-one is sourced from PubChem (CID 158996425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).