2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde

C12H20N2O2 — CID 142690055

IUPAC2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1CCC1CCCN1C=O
InChIInChI=1S/C12H20N2O2/c15-9-13-7-1-3-11(13)5-6-12-4-2-8-14(12)10-16/h9-12H,1-8H2
InChIKeyPZXMJCIVMMRFLK-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.01
Rot. Bonds5

About 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde

2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde (PubChem CID 142690055) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
PubChem CID142690055
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde
SMILESO=CN1CCCC1CCC1CCCN1C=O
InChIInChI=1S/C12H20N2O2/c15-9-13-7-1-3-11(13)5-6-12-4-2-8-14(12)10-16/h9-12H,1-8H2
InChIKeyPZXMJCIVMMRFLK-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(1-formylpyrrolidin-2-yl)ethyl]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

Related Compounds

(2R)-2-ethylpyrrolidine-1-carbaldehyde
CID 59526694
2-(3-oxopropyl)piperidine-1-carbaldehyde
CID 88835293
2-(2-piperazin-1-ylethyl)pyrrolidine-1-carbaldehyde
CID 82508373
2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
CID 88926703
2-(2-oxopropyl)azepane-1-carbaldehyde
CID 13117688
2-[(E)-3-amino-2-(methylamino)-4-oxobut-2-enyl]pyrrolidine-1-carbaldehyde
CID 144905964
2-[[cyclohexyl(methyl)amino]methyl]piperidine-1-carbaldehyde
CID 87628416
ethane;2-methylpyrrolidine-1-carbaldehyde
CID 177315996
3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbaldehyde
CID 64992279
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
4-phenyl-2-propylazepane-1-carbaldehyde
CID 87562749
(1-formylpyrrolidin-2-yl)boronic acid
CID 143049670

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde (CID 142690055) is 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde is O=CN1CCCC1CCC1CCCN1C=O.
What is the InChIKey of 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde?
The InChIKey is PZXMJCIVMMRFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-9-13-7-1-3-11(13)5-6-12-4-2-8-14(12)10-16/h9-12H,1-8H2.
What are the key properties of 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde?
2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde has a molecular weight of 224.30 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-formylpyrrolidin-2-yl)ethyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 142690055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).