4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride

C13H19ClN2O — CID 23322039

IUPAC4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCCCNCCc1cccc2c1CC(=O)N2.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12;/h3-5,14H,2,6-9H2,1H3,(H,15,16);1H
InChIKeyNETCGGLKJGMCRY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.15
Rot. Bonds5

About 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride

4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 23322039) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride
PubChem CID23322039
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCCCNCCc1cccc2c1CC(=O)N2.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12;/h3-5,14H,2,6-9H2,1H3,(H,15,16);1H
InChIKeyNETCGGLKJGMCRY-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride (CID 23322039) is 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride is CCCNCCc1cccc2c1CC(=O)N2.Cl.
What is the InChIKey of 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is NETCGGLKJGMCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12;/h3-5,14H,2,6-9H2,1H3,(H,15,16);1H.
What are the key properties of 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride?
4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 23322039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).