4-pyrrolidin-3-yl-2H-pyrrole

C8H12N2 — CID 148981006

IUPAC4-pyrrolidin-3-yl-2H-pyrrole
SMILESC1=NCC=C1C1CCNC1
InChIInChI=1S/C8H12N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,5,8,10H,2-4,6H2
InChIKeyPVSRIUHLGKBLPP-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.61
Rot. Bonds1

About 4-pyrrolidin-3-yl-2H-pyrrole

4-pyrrolidin-3-yl-2H-pyrrole (PubChem CID 148981006) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-2H-pyrrole.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-2H-pyrrole
PubChem CID148981006
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-pyrrolidin-3-yl-2H-pyrrole
SMILESC1=NCC=C1C1CCNC1
InChIInChI=1S/C8H12N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,5,8,10H,2-4,6H2
InChIKeyPVSRIUHLGKBLPP-UHFFFAOYSA-N
XLogP0.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-pyrrolidin-3-yl-2H-pyrrole 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

4-fluoro-2-(3-fluoropyrrolidin-3-yl)-N-methylpenta-2,4-dien-1-imine
CID 91386627
5-fluoro-4-pyrrolidin-3-yl-2H-pyrrole
CID 157576932
(2E)-N-methyl-3-pyrrolidin-3-ylpenta-2,4-dien-1-imine
CID 142976854
5-methyl-4-pyrrolidin-3-yl-2H-pyrrole
CID 158880750
3-pyrrolidin-3-yl-2,5-dihydro-1H-pyrrole
CID 173151824
(Z)-N,2-diethyl-3-(methyliminomethyl)hex-3-en-1-amine
CID 177026198
2,3,3a,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethanamine
CID 145568980

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-2H-pyrrole?
The IUPAC name of 4-pyrrolidin-3-yl-2H-pyrrole (CID 148981006) is 4-pyrrolidin-3-yl-2H-pyrrole.
What is the SMILES notation for 4-pyrrolidin-3-yl-2H-pyrrole?
The canonical SMILES for 4-pyrrolidin-3-yl-2H-pyrrole is C1=NCC=C1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-2H-pyrrole?
The InChIKey is PVSRIUHLGKBLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-9-5-7(1)8-2-4-10-6-8/h1,5,8,10H,2-4,6H2.
What are the key properties of 4-pyrrolidin-3-yl-2H-pyrrole?
4-pyrrolidin-3-yl-2H-pyrrole has a molecular weight of 136.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-2H-pyrrole is sourced from PubChem (CID 148981006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).