1-methyl-2-pyrrolidin-3-ylpyrrolidine

C9H18N2 — CID 82416480

IUPAC1-methyl-2-pyrrolidin-3-ylpyrrolidine
SMILESCN1CCCC1C1CCNC1
InChIInChI=1S/C9H18N2/c1-11-6-2-3-9(11)8-4-5-10-7-8/h8-10H,2-7H2,1H3
InChIKeyZYXWYFDEAGPCKW-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds1

About 1-methyl-2-pyrrolidin-3-ylpyrrolidine

1-methyl-2-pyrrolidin-3-ylpyrrolidine (PubChem CID 82416480) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-3-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-3-ylpyrrolidine
PubChem CID82416480
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-methyl-2-pyrrolidin-3-ylpyrrolidine
SMILESCN1CCCC1C1CCNC1
InChIInChI=1S/C9H18N2/c1-11-6-2-3-9(11)8-4-5-10-7-8/h8-10H,2-7H2,1H3
InChIKeyZYXWYFDEAGPCKW-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-2-pyrrolidin-3-ylpyrrolidine 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-methyl-2-pyrrolidin-3-ylpyrrolidine?
The IUPAC name of 1-methyl-2-pyrrolidin-3-ylpyrrolidine (CID 82416480) is 1-methyl-2-pyrrolidin-3-ylpyrrolidine.
What is the SMILES notation for 1-methyl-2-pyrrolidin-3-ylpyrrolidine?
The canonical SMILES for 1-methyl-2-pyrrolidin-3-ylpyrrolidine is CN1CCCC1C1CCNC1.
What is the InChIKey of 1-methyl-2-pyrrolidin-3-ylpyrrolidine?
The InChIKey is ZYXWYFDEAGPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-2-3-9(11)8-4-5-10-7-8/h8-10H,2-7H2,1H3.
What are the key properties of 1-methyl-2-pyrrolidin-3-ylpyrrolidine?
1-methyl-2-pyrrolidin-3-ylpyrrolidine has a molecular weight of 154.26 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-3-ylpyrrolidine is sourced from PubChem (CID 82416480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).