3-pyrrolidin-3-yl-1H-pyrrole

C8H12N2 — CID 82490378

IUPAC3-pyrrolidin-3-yl-1H-pyrrole
SMILESc1cc(C2CCNC2)c[nH]1
InChIInChI=1S/C8H12N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,3,5,8-10H,2,4,6H2
InChIKeyQDNRQIPXDBXVDD-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.09
Rot. Bonds1

About 3-pyrrolidin-3-yl-1H-pyrrole

3-pyrrolidin-3-yl-1H-pyrrole (PubChem CID 82490378) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1H-pyrrole.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1H-pyrrole
PubChem CID82490378
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-pyrrolidin-3-yl-1H-pyrrole
SMILESc1cc(C2CCNC2)c[nH]1
InChIInChI=1S/C8H12N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,3,5,8-10H,2,4,6H2
InChIKeyQDNRQIPXDBXVDD-UHFFFAOYSA-N
XLogP1.09
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-pyrrolidin-3-yl-1H-pyrrole 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-pyrrolidin-3-yl-1H-pyrrole?
The IUPAC name of 3-pyrrolidin-3-yl-1H-pyrrole (CID 82490378) is 3-pyrrolidin-3-yl-1H-pyrrole.
What is the SMILES notation for 3-pyrrolidin-3-yl-1H-pyrrole?
The canonical SMILES for 3-pyrrolidin-3-yl-1H-pyrrole is c1cc(C2CCNC2)c[nH]1.
What is the InChIKey of 3-pyrrolidin-3-yl-1H-pyrrole?
The InChIKey is QDNRQIPXDBXVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,3,5,8-10H,2,4,6H2.
What are the key properties of 3-pyrrolidin-3-yl-1H-pyrrole?
3-pyrrolidin-3-yl-1H-pyrrole has a molecular weight of 136.20 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1H-pyrrole is sourced from PubChem (CID 82490378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).