3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde

C24H22N2O — CID 91589686

IUPAC3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1
InChIInChI=1S/C24H22N2O/c27-17-25-12-11-21(15-25)23-16-26(24-8-4-3-7-22(23)24)14-18-9-10-19-5-1-2-6-20(19)13-18/h1-10,13,16-17,21H,11-12,14-15H2
InChIKeyGQPVXTPUSYNACT-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.79
Rot. Bonds4

About 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde

3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde (PubChem CID 91589686) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde
PubChem CID91589686
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1
InChIInChI=1S/C24H22N2O/c27-17-25-12-11-21(15-25)23-16-26(24-8-4-3-7-22(23)24)14-18-9-10-19-5-1-2-6-20(19)13-18/h1-10,13,16-17,21H,11-12,14-15H2
InChIKeyGQPVXTPUSYNACT-UHFFFAOYSA-N
XLogP4.79
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde 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 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde (CID 91589686) is 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde is O=CN1CCC(c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1.
What is the InChIKey of 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde?
The InChIKey is GQPVXTPUSYNACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c27-17-25-12-11-21(15-25)23-16-26(24-8-4-3-7-22(23)24)14-18-9-10-19-5-1-2-6-20(19)13-18/h1-10,13,16-17,21H,11-12,14-15H2.
What are the key properties of 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde?
3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde has a molecular weight of 354.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(naphthalen-2-ylmethyl)indol-3-yl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 91589686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).