7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one

C15H22N2O — CID 82190562

IUPAC7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(CCCN)c2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-3-10-8-11(6-5-7-16)14-13(9-10)12(4-2)15(18)17-14/h8-9,12H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyAPLBKFDQCXVRIN-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.59
Rot. Bonds5

About 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one

7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one (PubChem CID 82190562) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one
PubChem CID82190562
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one
SMILESCCc1cc(CCCN)c2c(c1)C(CC)C(=O)N2
InChIInChI=1S/C15H22N2O/c1-3-10-8-11(6-5-7-16)14-13(9-10)12(4-2)15(18)17-14/h8-9,12H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyAPLBKFDQCXVRIN-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one?
The IUPAC name of 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one (CID 82190562) is 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one is CCc1cc(CCCN)c2c(c1)C(CC)C(=O)N2.
What is the InChIKey of 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one?
The InChIKey is APLBKFDQCXVRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-10-8-11(6-5-7-16)14-13(9-10)12(4-2)15(18)17-14/h8-9,12H,3-7,16H2,1-2H3,(H,17,18).
What are the key properties of 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one?
7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminopropyl)-3,5-diethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).