1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde

C13H20N2O — CID 62993148

IUPAC1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde
SMILESCC(CN1CCCC1)Cn1cccc1C=O
InChIInChI=1S/C13H20N2O/c1-12(9-14-6-2-3-7-14)10-15-8-4-5-13(15)11-16/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3
InChIKeyGTABWASUCLZFDK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.03
Rot. Bonds5

About 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde

1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde (PubChem CID 62993148) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde
PubChem CID62993148
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde
SMILESCC(CN1CCCC1)Cn1cccc1C=O
InChIInChI=1S/C13H20N2O/c1-12(9-14-6-2-3-7-14)10-15-8-4-5-13(15)11-16/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3
InChIKeyGTABWASUCLZFDK-UHFFFAOYSA-N
XLogP2.03
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-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 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde (CID 62993148) is 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde is CC(CN1CCCC1)Cn1cccc1C=O.
What is the InChIKey of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde?
The InChIKey is GTABWASUCLZFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12(9-14-6-2-3-7-14)10-15-8-4-5-13(15)11-16/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3.
What are the key properties of 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde?
1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde has a molecular weight of 220.32 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 62993148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).