1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole

C21H26N2O — CID 66592773

IUPAC1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole
SMILESC1=CCC2=CCN(c3ccc(OCCCN4CCCC4)cc3)C2=C1
InChIInChI=1S/C21H26N2O/c1-2-7-21-18(6-1)12-16-23(21)19-8-10-20(11-9-19)24-17-5-15-22-13-3-4-14-22/h1-2,7-12H,3-6,13-17H2
InChIKeyWVJHUYYYWRNSAJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole

1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole (PubChem CID 66592773) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole.

Molecular Properties

Compound Name1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole
PubChem CID66592773
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole
SMILESC1=CCC2=CCN(c3ccc(OCCCN4CCCC4)cc3)C2=C1
InChIInChI=1S/C21H26N2O/c1-2-7-21-18(6-1)12-16-23(21)19-8-10-20(11-9-19)24-17-5-15-22-13-3-4-14-22/h1-2,7-12H,3-6,13-17H2
InChIKeyWVJHUYYYWRNSAJ-UHFFFAOYSA-N
XLogP4.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole?
The IUPAC name of 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole (CID 66592773) is 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole.
What is the SMILES notation for 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole?
The canonical SMILES for 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole is C1=CCC2=CCN(c3ccc(OCCCN4CCCC4)cc3)C2=C1.
What is the InChIKey of 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole?
The InChIKey is WVJHUYYYWRNSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-7-21-18(6-1)12-16-23(21)19-8-10-20(11-9-19)24-17-5-15-22-13-3-4-14-22/h1-2,7-12H,3-6,13-17H2.
What are the key properties of 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole?
1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole has a molecular weight of 322.45 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-2,4-dihydroindole is sourced from PubChem (CID 66592773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).